2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide

C18H19FN2O2S — CID 2123953

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O2S/c1-13(22)21-16-6-8-17(9-7-16)24-12-18(23)20-11-10-14-2-4-15(19)5-3-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyAHLKJWOHYDBGMP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.24
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 2123953) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID2123953
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O2S/c1-13(22)21-16-6-8-17(9-7-16)24-12-18(23)20-11-10-14-2-4-15(19)5-3-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyAHLKJWOHYDBGMP-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cinanserin
CID 5475158
Cinanserin Hydrochloride
CID 6433141
2-[(2,6-difluorobenzyl)thio]-N-phenylacetamide
CID 872566
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 788759
N-benzyl-N'-[4-(methylthio)phenyl]urea
CID 2822858
N-benzyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2802738
N-(2-fluorophenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 882943
N-(2-fluorophenyl)-2-[(4-methylbenzyl)thio]acetamide
CID 883059
N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
CID 2540090
2-(benzylthio)-N-(4-fluorophenyl)propanamide
CID 2899728

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 2123953) is 2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)Nc1ccc(SCC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is AHLKJWOHYDBGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-13(22)21-16-6-8-17(9-7-16)24-12-18(23)20-11-10-14-2-4-15(19)5-3-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2123953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).