N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide

C20H23NO2S — CID 7468515

IUPACN-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C20H23NO2S/c1-12-10-13(2)15(4)20(14(12)3)24-11-19(23)21-18-9-7-6-8-17(18)16(5)22/h6-10H,11H2,1-5H3,(H,21,23)
InChIKeyFAJAJCIJVJXQON-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.85
Rot. Bonds5

About N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide

N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide (PubChem CID 7468515) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
PubChem CID7468515
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C20H23NO2S/c1-12-10-13(2)15(4)20(14(12)3)24-11-19(23)21-18-9-7-6-8-17(18)16(5)22/h6-10H,11H2,1-5H3,(H,21,23)
InChIKeyFAJAJCIJVJXQON-UHFFFAOYSA-N
XLogP4.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18276902
N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 2561582
ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate
CID 8604583
N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468628
N-(2-acetylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2623213
N-(2-acetylphenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
CID 2522652
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
N-(2-acetylphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 30069653
N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7363976
[2-(2-acetylanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 2486754
N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide
CID 95776980
N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide
CID 66288630

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide (CID 7468515) is N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide is CC(=O)c1ccccc1NC(=O)CSc1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The InChIKey is FAJAJCIJVJXQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-12-10-13(2)15(4)20(14(12)3)24-11-19(23)21-18-9-7-6-8-17(18)16(5)22/h6-10H,11H2,1-5H3,(H,21,23).
What are the key properties of N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide has a molecular weight of 341.48 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide is sourced from PubChem (CID 7468515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).