N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide

C17H18FNOS — CID 977302

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNOS/c1-13-2-8-16(9-3-13)21-12-17(20)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyNCPHHTOURVXXOK-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.59
Rot. Bonds6

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

N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 977302) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID977302
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNOS/c1-13-2-8-16(9-3-13)21-12-17(20)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyNCPHHTOURVXXOK-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 100530141
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 41412961
2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide
CID 91813308
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 26569763
N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide
CID 38906488
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30386499

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide (CID 977302) is N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is NCPHHTOURVXXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-13-2-8-16(9-3-13)21-12-17(20)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 303.40 g/mol, XLogP of 3.59, 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)ethyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 977302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).