[Synonyms]
STK025335
ZINC00917572
BAS 03588712
4-Phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-butyramide
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
Canonical SMILES: C1=CC=C(C=C1)CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3
InChI: InChI=1/C20H20N4O3S/c25-19(9-4-8-16-6-2-1-3-7-16)23-17-10-12-18(13-11-
17)28(26,27)24-20-21-14-5-15-22-20/h1-3,5-7,10-15H,4,8-9H2,(H,23,25)(H,
21,22,24)/f/h23-24H
STK025335
ZINC00917572
BAS 03588712
4-Phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-butyramide
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 396.4628 [g/mol] |
| Molecular Formula | C20H20N4O3S |
| XLogP | 2.7 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 6 |
| Rotatable Bond Count | 8 |
| Tautomer Count | 4 |
| Exact Mass | 396.125611 |
| MonoIsotopic Mass | 396.125611 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 573 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
Canonical SMILES: C1=CC=C(C=C1)CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3
InChI: InChI=1/C20H20N4O3S/c25-19(9-4-8-16-6-2-1-3-7-16)23-17-10-12-18(13-11-
17)28(26,27)24-20-21-14-5-15-22-20/h1-3,5-7,10-15H,4,8-9H2,(H,23,25)(H,
21,22,24)/f/h23-24H
