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

C18H20FNOS — CID 94871823

IUPAC3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
SMILESCc1ccc(SCCNC(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNOS/c1-14-6-9-16(10-7-14)22-13-12-20-18(21)11-8-15-4-2-3-5-17(15)19/h2-7,9-10H,8,11-13H2,1H3,(H,20,21)
InChIKeyQGKBWSMEHIMIIG-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.98
Rot. Bonds7

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

3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide (PubChem CID 94871823) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
PubChem CID94871823
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
SMILESCc1ccc(SCCNC(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNOS/c1-14-6-9-16(10-7-14)22-13-12-20-18(21)11-8-15-4-2-3-5-17(15)19/h2-7,9-10H,8,11-13H2,1H3,(H,20,21)
InChIKeyQGKBWSMEHIMIIG-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

3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 100530141
N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide
CID 78792083
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9371556
4-[3-[2-(4-methylphenyl)sulfanylethylamino]-3-oxopropyl]benzoic acid
CID 119181630
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945715
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 7630193
2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9173698
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 33280259
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280
2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8957063

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide (CID 94871823) is 3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide is Cc1ccc(SCCNC(=O)CCc2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The InChIKey is QGKBWSMEHIMIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-14-6-9-16(10-7-14)22-13-12-20-18(21)11-8-15-4-2-3-5-17(15)19/h2-7,9-10H,8,11-13H2,1H3,(H,20,21).
What are the key properties of 3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
3-(2-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-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide is sourced from PubChem (CID 94871823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).