2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C24H25ClN2O5S — CID 2460404

IUPAC2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-31-22-13-12-18(14-23(22)32-2)15-26-24(28)17-27(16-19-8-6-7-11-21(19)25)33(29,30)20-9-4-3-5-10-20/h3-14H,15-17H2,1-2H3,(H,26,28)
InChIKeyOUUIPARFOLHMHY-UHFFFAOYSA-N
MW488.99 g/mol
LogP3.86
Rot. Bonds10

About 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 2460404) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID2460404
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-31-22-13-12-18(14-23(22)32-2)15-26-24(28)17-27(16-19-8-6-7-11-21(19)25)33(29,30)20-9-4-3-5-10-20/h3-14H,15-17H2,1-2H3,(H,26,28)
InChIKeyOUUIPARFOLHMHY-UHFFFAOYSA-N
XLogP3.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544586
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28545687
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4239320
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 43872067
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544909
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 71904798
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126010484
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 43872181
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126321404
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92686228

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 2460404) is 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is OUUIPARFOLHMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-31-22-13-12-18(14-23(22)32-2)15-26-24(28)17-27(16-19-8-6-7-11-21(19)25)33(29,30)20-9-4-3-5-10-20/h3-14H,15-17H2,1-2H3,(H,26,28).
What are the key properties of 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 488.99 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2460404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).