2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide

C21H25ClN2O4S — CID 67855049

IUPAC2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide
SMILESCC(=O)NC(C)(C(=O)NS(=O)(=O)c1ccc(-c2ccccc2Cl)cc1C)C(C)C
InChIInChI=1S/C21H25ClN2O4S/c1-13(2)21(5,23-15(4)25)20(26)24-29(27,28)19-11-10-16(12-14(19)3)17-8-6-7-9-18(17)22/h6-13H,1-5H3,(H,23,25)(H,24,26)
InChIKeyJBRILAFHHBUNML-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.67
Rot. Bonds6

About 2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide

2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide (PubChem CID 67855049) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide
PubChem CID67855049
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide
SMILESCC(=O)NC(C)(C(=O)NS(=O)(=O)c1ccc(-c2ccccc2Cl)cc1C)C(C)C
InChIInChI=1S/C21H25ClN2O4S/c1-13(2)21(5,23-15(4)25)20(26)24-29(27,28)19-11-10-16(12-14(19)3)17-8-6-7-9-18(17)22/h6-13H,1-5H3,(H,23,25)(H,24,26)
InChIKeyJBRILAFHHBUNML-UHFFFAOYSA-N
XLogP3.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide
CID 14695780
1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
CID 172646458
5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride
CID 82308432
4-(2-chlorophenyl)-2-methylphenol
CID 53218875
4-(2-chlorophenyl)-2-hydroxybenzenesulfonamide
CID 173126737
N-tert-butyl-4-(2-chlorophenyl)benzamide
CID 174761661
N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide
CID 14695771
4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide
CID 69207908
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid
CID 21496294
N'-(benzenesulfonyl)-N-[4-[4-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]sulfamoyl]-3-methylphenyl]-2-methylphenyl]benzenecarboximidamide
CID 5044534
4-(2-chlorophenyl)benzenesulfonic acid
CID 82134205

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide?
The IUPAC name of 2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide (CID 67855049) is 2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide.
What is the SMILES notation for 2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide?
The canonical SMILES for 2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide is CC(=O)NC(C)(C(=O)NS(=O)(=O)c1ccc(-c2ccccc2Cl)cc1C)C(C)C.
What is the InChIKey of 2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide?
The InChIKey is JBRILAFHHBUNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-13(2)21(5,23-15(4)25)20(26)24-29(27,28)19-11-10-16(12-14(19)3)17-8-6-7-9-18(17)22/h6-13H,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide?
2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide has a molecular weight of 436.96 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide is sourced from PubChem (CID 67855049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).