3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide

C22H20FNOS — CID 100714513

IUPAC3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1F)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C22H20FNOS/c23-21-9-5-4-6-18(21)12-15-22(25)24-19-13-10-17(11-14-19)16-26-20-7-2-1-3-8-20/h1-11,13-14H,12,15-16H2,(H,24,25)
InChIKeyCPWZSKZSMBWQJK-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.69
Rot. Bonds7

About 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide

3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide (PubChem CID 100714513) has the molecular formula C22H20FNOS and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
PubChem CID100714513
Molecular FormulaC22H20FNOS
Molecular Weight365.47 g/mol
Exact Mass365.12
IUPAC Name3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1F)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C22H20FNOS/c23-21-9-5-4-6-18(21)12-15-22(25)24-19-13-10-17(11-14-19)16-26-20-7-2-1-3-8-20/h1-11,13-14H,12,15-16H2,(H,24,25)
InChIKeyCPWZSKZSMBWQJK-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]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

2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
1-[(2-fluorophenyl)methyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100763294
2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 100757828
3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 35343898
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 108923344
3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38196539
2-[[4-[(2-fluorophenyl)methylsulfanyl]phenyl]carbamoyl]benzoic acid
CID 22784520
3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110922797
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
CID 134116571

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide (CID 100714513) is 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide is O=C(CCc1ccccc1F)Nc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide?
The InChIKey is CPWZSKZSMBWQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNOS/c23-21-9-5-4-6-18(21)12-15-22(25)24-19-13-10-17(11-14-19)16-26-20-7-2-1-3-8-20/h1-11,13-14H,12,15-16H2,(H,24,25).
What are the key properties of 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide?
3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide has a molecular weight of 365.47 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide is sourced from PubChem (CID 100714513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).