N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide

C18H20FNO3S — CID 4207378

IUPACN-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO3S/c1-14-4-2-3-5-16(14)13-24(22,23)11-10-18(21)20-12-15-6-8-17(19)9-7-15/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyGAIVXWFPFFGORF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.76
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide

N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide (PubChem CID 4207378) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
PubChem CID4207378
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO3S/c1-14-4-2-3-5-16(14)13-24(22,23)11-10-18(21)20-12-15-6-8-17(19)9-7-15/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyGAIVXWFPFFGORF-UHFFFAOYSA-N
XLogP2.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]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-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 110674327
N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559089
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964387
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
CID 20968374
3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 5177299
3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide
CID 9489077
N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207572
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113143546

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide (CID 4207378) is N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide is Cc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is GAIVXWFPFFGORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-14-4-2-3-5-16(14)13-24(22,23)11-10-18(21)20-12-15-6-8-17(19)9-7-15/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4207378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).