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

C18H20FNO3S — CID 3659358

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3S/c1-14-6-8-15(9-7-14)12-20-18(21)10-11-24(22,23)13-16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyREOFSPXUMJIULA-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.76
Rot. Bonds7

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

3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 3659358) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID3659358
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3S/c1-14-6-8-15(9-7-14)12-20-18(21)10-11-24(22,23)13-16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyREOFSPXUMJIULA-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 3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-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

Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
2-[(4-fluorobenzyl)thio]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3324373
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086402
N-(4-fluorobenzyl)-2-[(4-fluorobenzyl)thio]acetamide
CID 5045192
3-[(2-fluorobenzyl)thio]-N-(1-phenylethyl)propanamide
CID 5053724
3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 5055551
N-Benzyl-2-((phenylmethyl)sulfonamido)acetamide
CID 9104171
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide (CID 3659358) is 3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2F)cc1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is REOFSPXUMJIULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-14-6-8-15(9-7-14)12-20-18(21)10-11-24(22,23)13-16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]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 3-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 3659358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).