[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