4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide

C19H23ClN2O3S — CID 53285167

IUPAC4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
SMILESCc1cc(C)cc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14-10-15(2)12-17(11-14)21-19(23)8-5-9-22(26(3,24)25)18-7-4-6-16(20)13-18/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,21,23)
InChIKeyWHBBESGQUFKCJQ-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.14
Rot. Bonds7

About 4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide

4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide (PubChem CID 53285167) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
PubChem CID53285167
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
SMILESCc1cc(C)cc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14-10-15(2)12-17(11-14)21-19(23)8-5-9-22(26(3,24)25)18-7-4-6-16(20)13-18/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,21,23)
InChIKeyWHBBESGQUFKCJQ-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53285147
4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 53285441
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
4-(3-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 9173735
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide
CID 53281001
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113143839
4-(3-chloro-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 9173514
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
4-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 9180922

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide?
The IUPAC name of 4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide (CID 53285167) is 4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide.
What is the SMILES notation for 4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide?
The canonical SMILES for 4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide is Cc1cc(C)cc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1.
What is the InChIKey of 4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide?
The InChIKey is WHBBESGQUFKCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-10-15(2)12-17(11-14)21-19(23)8-5-9-22(26(3,24)25)18-7-4-6-16(20)13-18/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,21,23).
What are the key properties of 4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide?
4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide has a molecular weight of 394.92 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide is sourced from PubChem (CID 53285167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).