N-(3-methylsulfonylphenyl)butanamide

C11H15NO3S — CID 37391541

IUPACN-(3-methylsulfonylphenyl)butanamide
SMILESCCCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H15NO3S/c1-3-5-11(13)12-9-6-4-7-10(8-9)16(2,14)15/h4,6-8H,3,5H2,1-2H3,(H,12,13)
InChIKeyDAJXQKZHSVXSJS-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.83
Rot. Bonds4

About N-(3-methylsulfonylphenyl)butanamide

N-(3-methylsulfonylphenyl)butanamide (PubChem CID 37391541) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)butanamide
PubChem CID37391541
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(3-methylsulfonylphenyl)butanamide
SMILESCCCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H15NO3S/c1-3-5-11(13)12-9-6-4-7-10(8-9)16(2,14)15/h4,6-8H,3,5H2,1-2H3,(H,12,13)
InChIKeyDAJXQKZHSVXSJS-UHFFFAOYSA-N
XLogP1.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylsulfonylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201
4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334790
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
4-(4-bromophenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334715
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555
2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 42959271
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
CID 134013213

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)butanamide?
The IUPAC name of N-(3-methylsulfonylphenyl)butanamide (CID 37391541) is N-(3-methylsulfonylphenyl)butanamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)butanamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)butanamide is CCCC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)butanamide?
The InChIKey is DAJXQKZHSVXSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-5-11(13)12-9-6-4-7-10(8-9)16(2,14)15/h4,6-8H,3,5H2,1-2H3,(H,12,13).
What are the key properties of N-(3-methylsulfonylphenyl)butanamide?
N-(3-methylsulfonylphenyl)butanamide has a molecular weight of 241.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 37391541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).