2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide

C19H23ClN2O3S — CID 132660114

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13-5-10-18(14(2)11-13)15(3)21-19(23)12-22(4)26(24,25)17-8-6-16(20)7-9-17/h5-11,15H,12H2,1-4H3,(H,21,23)
InChIKeyDBQZOWIOYTWDTI-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.45
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide (PubChem CID 132660114) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
PubChem CID132660114
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13-5-10-18(14(2)11-13)15(3)21-19(23)12-22(4)26(24,25)17-8-6-16(20)7-9-17/h5-11,15H,12H2,1-4H3,(H,21,23)
InChIKeyDBQZOWIOYTWDTI-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26085188
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30251011
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28631720
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 53279305
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133217368
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30212055
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92672309
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30211773
N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 132658877
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28578106
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 125062230

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide (CID 132660114) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is DBQZOWIOYTWDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13-5-10-18(14(2)11-13)15(3)21-19(23)12-22(4)26(24,25)17-8-6-16(20)7-9-17/h5-11,15H,12H2,1-4H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 132660114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).