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

C18H20FNOS — CID 100530141

IUPAC3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
SMILESCc1ccc(SCCNC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNOS/c1-14-2-9-17(10-3-14)22-13-12-20-18(21)11-6-15-4-7-16(19)8-5-15/h2-5,7-10H,6,11-13H2,1H3,(H,20,21)
InChIKeyYBZWUFWNSRYIIW-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.98
Rot. Bonds7

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

3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide (PubChem CID 100530141) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
PubChem CID100530141
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
SMILESCc1ccc(SCCNC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNOS/c1-14-2-9-17(10-3-14)22-13-12-20-18(21)11-6-15-4-7-16(19)8-5-15/h2-5,7-10H,6,11-13H2,1H3,(H,20,21)
InChIKeyYBZWUFWNSRYIIW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-(4-methylphenyl)sulfanylethylamino]-3-oxopropyl]benzoic acid
CID 119181630
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26796353
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 94871823
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2583503
3-(4-aminophenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 61117437
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide (CID 100530141) is 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide is Cc1ccc(SCCNC(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The InChIKey is YBZWUFWNSRYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-14-2-9-17(10-3-14)22-13-12-20-18(21)11-6-15-4-7-16(19)8-5-15/h2-5,7-10H,6,11-13H2,1H3,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide 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 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide is sourced from PubChem (CID 100530141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).