N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide

C18H20FNOS — CID 86933520

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCc1cc(CNC(=O)C(C)CSc2ccccc2)ccc1F
InChIInChI=1S/C18H20FNOS/c1-13-10-15(8-9-17(13)19)11-20-18(21)14(2)12-22-16-6-4-3-5-7-16/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyYUWBZYBAEFDINH-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.18
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 86933520) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
PubChem CID86933520
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCc1cc(CNC(=O)C(C)CSc2ccccc2)ccc1F
InChIInChI=1S/C18H20FNOS/c1-13-10-15(8-9-17(13)19)11-20-18(21)14(2)12-22-16-6-4-3-5-7-16/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyYUWBZYBAEFDINH-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide 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-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2985265
2-[(4-fluorobenzyl)thio]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3324373

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide (CID 86933520) is N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide is Cc1cc(CNC(=O)C(C)CSc2ccccc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is YUWBZYBAEFDINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-13-10-15(8-9-17(13)19)11-20-18(21)14(2)12-22-16-6-4-3-5-7-16/h3-10,14H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86933520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).