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ZINC03503146 [2-(methylcarbamoylamino)-2-oxoethyl],2-(thiophen-2-ylsul

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摘 要:ZINC03503146 [2-(methylcarbamoylamino)-2-oxoethyl],2-(thiophen-2-ylsulfonylamino)benzoate,Canonical SMILES: CNC(=O)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2,InChI: InChI=1/C15H15N3O6S2/c1-16-15(21)17-12(19)9-24-14(20)10-5-2-3-6-11(10),18-26(22,23)1
[Synonyms]
ZINC03503146
[Structure]
ZINC03503146 [2-(methylcarbamoylamino)-2-oxoethyl],2-(thiophen-2-ylsul

[ Properties Computed from Structure]
Molecular Weight397.4261 [g/mol]
Molecular FormulaC15H15N3O6S2
XLogP1.4
H-Bond Donor3
H-Bond Acceptor7
Rotatable Bond Count7
Tautomer Count10
Exact Mass397.040227
MonoIsotopic Mass397.040227
Topological Polar Surface Area131
Heavy Atom Count26
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl]
2-(thiophen-2-ylsulfonylamino)benzoate
Canonical SMILES: CNC(=O)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2
InChI: InChI=1/C15H15N3O6S2/c1-16-15(21)17-12(19)9-24-14(20)10-5-2-3-6-11(10)
18-26(22,23)13-7-4-8-25-13/h2-8,18H,9H2,1H3,(H2,16,17,19,21)/f/h16-17H

 
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