4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide

C18H21NO3S — CID 41273173

IUPAC4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCS(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C18H21NO3S/c1-14-8-6-11-17(15(14)2)19-18(20)12-7-13-23(21,22)16-9-4-3-5-10-16/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
InChIKeyXIFVKEUYASCSHM-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.50
Rot. Bonds6

About 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide

4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide (PubChem CID 41273173) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
PubChem CID41273173
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCS(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C18H21NO3S/c1-14-8-6-11-17(15(14)2)19-18(20)12-7-13-23(21,22)16-9-4-3-5-10-16/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
InChIKeyXIFVKEUYASCSHM-UHFFFAOYSA-N
XLogP3.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
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CID 110298456
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
CID 16804021
4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide
CID 41273162
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide
CID 11955824
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide
CID 47069804

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide (CID 41273173) is 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide is Cc1cccc(NC(=O)CCCS(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide?
The InChIKey is XIFVKEUYASCSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-8-6-11-17(15(14)2)19-18(20)12-7-13-23(21,22)16-9-4-3-5-10-16/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20).
What are the key properties of 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide?
4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide has a molecular weight of 331.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide is sourced from PubChem (CID 41273173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).