3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

C18H20FNO3S — CID 18096269

IUPAC3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H20FNO3S/c1-13(15-6-10-17(11-7-15)24(2,22)23)20-18(21)12-5-14-3-8-16(19)9-4-14/h3-4,6-11,13H,5,12H2,1-2H3,(H,20,21)
InChIKeyNSUGKHPZWCELJX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.04
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 18096269) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID18096269
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H20FNO3S/c1-13(15-6-10-17(11-7-15)24(2,22)23)20-18(21)12-5-14-3-8-16(19)9-4-14/h3-4,6-11,13H,5,12H2,1-2H3,(H,20,21)
InChIKeyNSUGKHPZWCELJX-UHFFFAOYSA-N
XLogP3.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]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-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 30402368
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 43906459
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40938284
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896673
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30227660

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 18096269) is 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is CC(NC(=O)CCc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is NSUGKHPZWCELJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13(15-6-10-17(11-7-15)24(2,22)23)20-18(21)12-5-14-3-8-16(19)9-4-14/h3-4,6-11,13H,5,12H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 18096269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).