N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide

C15H14FNOS — CID 882556

IUPACN-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C15H14FNOS/c1-11-6-8-12(9-7-11)19-10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyBSQNAEWMYZWULB-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.86
Rot. Bonds4

About N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 882556) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID882556
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C15H14FNOS/c1-11-6-8-12(9-7-11)19-10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyBSQNAEWMYZWULB-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 882556) is N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is BSQNAEWMYZWULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-11-6-8-12(9-7-11)19-10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 275.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 882556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).