2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide

C17H19ClN2O5S — CID 1330898

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O5S/c1-20(26(22,23)14-7-4-12(18)5-8-14)11-17(21)19-15-10-13(24-2)6-9-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyZHVYFIRBMIRFRL-UHFFFAOYSA-N
MW398.87 g/mol
LogP2.62
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 1330898) has the molecular formula C17H19ClN2O5S and a molecular weight of 398.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID1330898
Molecular FormulaC17H19ClN2O5S
Molecular Weight398.87 g/mol
Exact Mass398.07
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O5S/c1-20(26(22,23)14-7-4-12(18)5-8-14)11-17(21)19-15-10-13(24-2)6-9-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyZHVYFIRBMIRFRL-UHFFFAOYSA-N
XLogP2.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1084866
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 137353879
2-[(2,5-Dimethoxy-phenyl)-methanesulfonyl-amino]-N-phenyl-acetamide
CID 645150
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 655066
2-{[(4-chlorophenyl)sulfonyl]amino}-N-(4-methoxyphenyl)acetamide
CID 1006478
2-{[(4-chlorophenyl)sulfonyl]amino}-N-(3,4-dimethoxyphenyl)acetamide
CID 1006525
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021981
N-(2,5-Dimethoxy-phenyl)-2-[(2-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 1100065
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(2-methoxy-phenyl)-acetamide
CID 1105780
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-(2-methoxy-phenyl)-acetamide
CID 1106405

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide (CID 1330898) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is ZHVYFIRBMIRFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5S/c1-20(26(22,23)14-7-4-12(18)5-8-14)11-17(21)19-15-10-13(24-2)6-9-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 398.87 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1330898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).