4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide

C12H16FNO3S — CID 71988387

IUPAC4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide
SMILESCC(CCc1ccccc1F)C(=O)NS(C)(=O)=O
InChIInChI=1S/C12H16FNO3S/c1-9(12(15)14-18(2,16)17)7-8-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyDCALLJZQXNAKDK-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.47
Rot. Bonds5

About 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide

4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide (PubChem CID 71988387) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide
PubChem CID71988387
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide
SMILESCC(CCc1ccccc1F)C(=O)NS(C)(=O)=O
InChIInChI=1S/C12H16FNO3S/c1-9(12(15)14-18(2,16)17)7-8-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyDCALLJZQXNAKDK-UHFFFAOYSA-N
XLogP1.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide 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

Reparixin
CID 9838712
(S)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propanamide
CID 11414892
2-(4-isobutylphenyl)-N-(methylsulfonyl)propanamide
CID 6433115
2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide
CID 11538336
N-(phenylacetyl)trifluoromethanesulfonamide
CID 10038595
2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide
CID 10356476
(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11255697
(2R)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11267195
N-methylsulfonyl-3-phenylpropanamide
CID 47232700
2-methyl-N-(2-phenylethylsulfonyl)propanamide
CID 53593264
2-(3-methylphenyl)-N-methylsulfonylacetamide
CID 118232046
(2R)-2-(4-fluorophenyl)propanamide
CID 89938325

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide?
The IUPAC name of 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide (CID 71988387) is 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide is CC(CCc1ccccc1F)C(=O)NS(C)(=O)=O.
What is the InChIKey of 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide?
The InChIKey is DCALLJZQXNAKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9(12(15)14-18(2,16)17)7-8-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide?
4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide has a molecular weight of 273.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 71988387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).