3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide

C17H18FNO3S — CID 9489077

IUPAC3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H18FNO3S/c1-13-6-2-3-7-14(13)12-19-17(20)10-11-23(21,22)16-9-5-4-8-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyOZTSGOIJPJQIDL-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.61
Rot. Bonds6

About 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide

3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 9489077) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID9489077
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H18FNO3S/c1-13-6-2-3-7-14(13)12-19-17(20)10-11-23(21,22)16-9-5-4-8-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyOZTSGOIJPJQIDL-UHFFFAOYSA-N
XLogP2.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide 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

N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide
CID 17420018
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 18114734
N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 31251673
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 3594757
N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
CID 4207378
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
3-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142916

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide (CID 9489077) is 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)CCS(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is OZTSGOIJPJQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-13-6-2-3-7-14(13)12-19-17(20)10-11-23(21,22)16-9-5-4-8-15(16)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide?
3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 335.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 9489077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).