N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide

C15H13F2NOS — CID 738707

IUPACN-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H13F2NOS/c1-10-2-5-12(6-3-10)20-9-15(19)18-14-7-4-11(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDMFRGVIAEFSUKH-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.00
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 738707) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID738707
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H13F2NOS/c1-10-2-5-12(6-3-10)20-9-15(19)18-14-7-4-11(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDMFRGVIAEFSUKH-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 738707) is N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is DMFRGVIAEFSUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c1-10-2-5-12(6-3-10)20-9-15(19)18-14-7-4-11(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 293.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 738707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).