N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide

C17H18FNOS — CID 135036468

IUPACN-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide
SMILESCC(=O)NC(CSCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H18FNOS/c1-13(20)19-17(15-5-3-2-4-6-15)12-21-11-14-7-9-16(18)10-8-14/h2-10,17H,11-12H2,1H3,(H,19,20)
InChIKeyKLRIARQWFPZHOC-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.94
Rot. Bonds6

About N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide

N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide (PubChem CID 135036468) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide
PubChem CID135036468
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide
SMILESCC(=O)NC(CSCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H18FNOS/c1-13(20)19-17(15-5-3-2-4-6-15)12-21-11-14-7-9-16(18)10-8-14/h2-10,17H,11-12H2,1H3,(H,19,20)
InChIKeyKLRIARQWFPZHOC-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
(2E)-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 5720182
N-Benzhydrylacetamide
CID 614461
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide (CID 135036468) is N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide is CC(=O)NC(CSCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide?
The InChIKey is KLRIARQWFPZHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-13(20)19-17(15-5-3-2-4-6-15)12-21-11-14-7-9-16(18)10-8-14/h2-10,17H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide?
N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methylsulfanyl]-1-phenylethyl]acetamide is sourced from PubChem (CID 135036468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).