2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide

C19H21ClN2O3S — CID 1288812

IUPAC2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-13-3-9-17(10-4-13)26(24,25)22(12-19(23)21-15-6-7-15)16-8-5-14(2)18(20)11-16/h3-5,8-11,15H,6-7,12H2,1-2H3,(H,21,23)
InChIKeyBHKHZRQDRDOJCI-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.43
Rot. Bonds6

About 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide

2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide (PubChem CID 1288812) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide
PubChem CID1288812
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-13-3-9-17(10-4-13)26(24,25)22(12-19(23)21-15-6-7-15)16-8-5-14(2)18(20)11-16/h3-5,8-11,15H,6-7,12H2,1-2H3,(H,21,23)
InChIKeyBHKHZRQDRDOJCI-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide (CID 1288812) is 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide?
The InChIKey is BHKHZRQDRDOJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13-3-9-17(10-4-13)26(24,25)22(12-19(23)21-15-6-7-15)16-8-5-14(2)18(20)11-16/h3-5,8-11,15H,6-7,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide?
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-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-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 1288812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).