N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide

C18H20FNOS — CID 2349242

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNOS/c1-14-2-8-17(9-3-14)22-13-11-18(21)20-12-10-15-4-6-16(19)7-5-15/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyOUTGJLDQNVXQCE-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.98
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide

N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2349242) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID2349242
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNOS/c1-14-2-8-17(9-3-14)22-13-11-18(21)20-12-10-15-4-6-16(19)7-5-15/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyOUTGJLDQNVXQCE-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-N-cyanomethyl-2-(4-fluorophenylsulfanylmethyl)-cyclohexanecarboxamide
CID 9901142
(1R,2R)-N-(cyanomethyl)-2-{[(3-fluorophenyl)sulfanyl]methyl}cyclohexane-1-carboxamide
CID 10193166
(1R,2R)-N-(cyanomethyl)-2-{[(4-methylphenyl)sulfanyl]methyl}cyclohexane-1-carboxamide
CID 10308440
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4449807
(1R,2S)-N-(cyanomethyl)-2-[(Z)-2-[4-(methylsulfanyl)phenyl]ethenyl]cyclohexane-1-carboxamide
CID 11631049
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
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide (CID 2349242) is N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is OUTGJLDQNVXQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-14-2-8-17(9-3-14)22-13-11-18(21)20-12-10-15-4-6-16(19)7-5-15/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2349242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).