2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide

C15H13ClFNOS — CID 126186398

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCc1c(F)cccc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNOS/c1-10-13(17)3-2-4-14(10)18-15(19)9-20-12-7-5-11(16)6-8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyPLBMAFDQVAHGEU-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.52
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide (PubChem CID 126186398) has the molecular formula C15H13ClFNOS and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
PubChem CID126186398
Molecular FormulaC15H13ClFNOS
Molecular Weight309.79 g/mol
Exact Mass309.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCc1c(F)cccc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNOS/c1-10-13(17)3-2-4-14(10)18-15(19)9-20-12-7-5-11(16)6-8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyPLBMAFDQVAHGEU-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
N-(3-fluoro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 17186518
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
CID 126024053
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 18288638
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7228913
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 889834
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
2-(4-chlorophenyl)sulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30333702
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
2-(4-chlorophenyl)sulfanyl-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162631847

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide (CID 126186398) is 2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide is Cc1c(F)cccc1NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide?
The InChIKey is PLBMAFDQVAHGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNOS/c1-10-13(17)3-2-4-14(10)18-15(19)9-20-12-7-5-11(16)6-8-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide has a molecular weight of 309.79 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 126186398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).