2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide

C19H21ClN2O3S — CID 2198538

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide
SMILESCc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H21ClN2O3S/c1-13-3-8-17(11-14(13)2)22(12-19(23)21-16-6-7-16)26(24,25)18-9-4-15(20)5-10-18/h3-5,8-11,16H,6-7,12H2,1-2H3,(H,21,23)
InChIKeyYSJWFKMRVCCUHW-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.43
Rot. Bonds6

About 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide

2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide (PubChem CID 2198538) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide
PubChem CID2198538
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide
SMILESCc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H21ClN2O3S/c1-13-3-8-17(11-14(13)2)22(12-19(23)21-16-6-7-16)26(24,25)18-9-4-15(20)5-10-18/h3-5,8-11,16H,6-7,12H2,1-2H3,(H,21,23)
InChIKeyYSJWFKMRVCCUHW-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 99971076
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide
CID 126143705
N-cyclopropyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344423
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-propan-2-ylacetamide
CID 126142567
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 30172800
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 23932028
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249802
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutyl)acetamide
CID 21372573
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 1208475
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 1263762
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-ethoxypropyl)acetamide
CID 126189051
N-cyclopentyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372290

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide (CID 2198538) is 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide is Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide?
The InChIKey is YSJWFKMRVCCUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13-3-8-17(11-14(13)2)22(12-19(23)21-16-6-7-16)26(24,25)18-9-4-15(20)5-10-18/h3-5,8-11,16H,6-7,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide?
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide has a molecular weight of 392.91 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 2198538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).