2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide

C23H23ClN2O3S — CID 1247158

IUPAC2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-16-10-12-21(13-11-16)30(28,29)26(20-9-5-8-19(24)14-20)15-22(27)25-23-17(2)6-4-7-18(23)3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyFUVOBRFDFQTYIS-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.10
Rot. Bonds6

About 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 1247158) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
PubChem CID1247158
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-16-10-12-21(13-11-16)30(28,29)26(20-9-5-8-19(24)14-20)15-22(27)25-23-17(2)6-4-7-18(23)3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyFUVOBRFDFQTYIS-UHFFFAOYSA-N
XLogP5.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
N-(3-Chlorophenyl)-2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetamide
CID 1247140
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
2-[(5-Chloro-2-methyl-phenyl)-methanesulfonyl-amino]-N-cyclohexyl-acetamide
CID 647018
2-{(2-ethylphenyl)[(4-methylphenyl)sulfonyl]amino}-N-benzylacetamide
CID 1000070
N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1000713
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)benzenesulfonamido]acetamide
CID 1141975
N-(2-Methylpropyl)-2-[N-(2-phenylethyl)4-methylbenzenesulfonamido]acetamide
CID 1141990
N-[2-Chloro-4-(toluene-4-sulfonylamino)-phenyl]-2-piperidin-1-yl-acetamide
CID 1147316

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide (CID 1247158) is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is FUVOBRFDFQTYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-16-10-12-21(13-11-16)30(28,29)26(20-9-5-8-19(24)14-20)15-22(27)25-23-17(2)6-4-7-18(23)3/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 442.97 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 1247158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).