2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C25H27ClN2O4S — CID 100790386

IUPAC2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-27(18-21-8-12-23(32-2)13-9-21)25(29)19-28(17-16-20-6-4-3-5-7-20)33(30,31)24-14-10-22(26)11-15-24/h3-15H,16-19H2,1-2H3
InChIKeyWGVLYBUEOKBHSX-UHFFFAOYSA-N
MW487.02 g/mol
LogP4.24
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 100790386) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID100790386
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-27(18-21-8-12-23(32-2)13-9-21)25(29)19-28(17-16-20-6-4-3-5-7-20)33(30,31)24-14-10-22(26)11-15-24/h3-15H,16-19H2,1-2H3
InChIKeyWGVLYBUEOKBHSX-UHFFFAOYSA-N
XLogP4.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544127
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543745
N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide
CID 126067649
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 1329406
N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-methylacetamide
CID 1323789
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide
CID 21211450
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100795274
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 100790386) is 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is WGVLYBUEOKBHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-27(18-21-8-12-23(32-2)13-9-21)25(29)19-28(17-16-20-6-4-3-5-7-20)33(30,31)24-14-10-22(26)11-15-24/h3-15H,16-19H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 487.02 g/mol, XLogP of 4.24, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 100790386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).