N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide

C17H16F2N2O2S — CID 24673641

IUPACN-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ccc(F)cc2F)c1C
InChIInChI=1S/C17H16F2N2O2S/c1-10-14(20-11(2)22)4-3-5-15(10)21-17(23)9-24-16-7-6-12(18)8-13(16)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOKLQTKBWNZCCIH-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.96
Rot. Bonds5

About N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide

N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide (PubChem CID 24673641) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
PubChem CID24673641
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ccc(F)cc2F)c1C
InChIInChI=1S/C17H16F2N2O2S/c1-10-14(20-11(2)22)4-3-5-15(10)21-17(23)9-24-16-7-6-12(18)8-13(16)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOKLQTKBWNZCCIH-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
2-(2,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 27640834
2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9046159
N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
CID 9046628
2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 9046262
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
3-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43171763
N-(3-acetamido-2-methylphenyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 134019293
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate
CID 8837223
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79130947

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide (CID 24673641) is N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2ccc(F)cc2F)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The InChIKey is OKLQTKBWNZCCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c1-10-14(20-11(2)22)4-3-5-15(10)21-17(23)9-24-16-7-6-12(18)8-13(16)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide has a molecular weight of 350.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 24673641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).