2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide

C25H27ClN2O6S — CID 126395903

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)c(OC)c1
InChIInChI=1S/C25H27ClN2O6S/c1-32-19-9-11-22(24(15-19)34-3)27-25(29)17-28(14-13-18-7-5-4-6-8-18)35(30,31)20-10-12-23(33-2)21(26)16-20/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,29)
InChIKeyNPAIWJHAOLQCNL-UHFFFAOYSA-N
MW519.02 g/mol
LogP4.24
Rot. Bonds11

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 126395903) has the molecular formula C25H27ClN2O6S and a molecular weight of 519.02 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID126395903
Molecular FormulaC25H27ClN2O6S
Molecular Weight519.02 g/mol
Exact Mass518.13
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)c(OC)c1
InChIInChI=1S/C25H27ClN2O6S/c1-32-19-9-11-22(24(15-19)34-3)27-25(29)17-28(14-13-18-7-5-4-6-8-18)35(30,31)20-10-12-23(33-2)21(26)16-20/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,29)
InChIKeyNPAIWJHAOLQCNL-UHFFFAOYSA-N
XLogP4.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.02
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 3295282
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 126397140
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide
CID 126393774
N-(2,4-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782485
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 126394157
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872467
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906255
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906254
N-(2-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360434
N-(3-chlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 3642012
N-(2,5-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544285
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791458

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide (CID 126395903) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)c(OC)c1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is NPAIWJHAOLQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O6S/c1-32-19-9-11-22(24(15-19)34-3)27-25(29)17-28(14-13-18-7-5-4-6-8-18)35(30,31)20-10-12-23(33-2)21(26)16-20/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,29).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 519.02 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 126395903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).