2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide

C17H18N2O2S — CID 18901028

IUPAC2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(SCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H18N2O2S/c1-12-6-8-14(9-7-12)19-17(21)11-22-16-5-3-4-15(10-16)18-13(2)20/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDNZICNQHADJZRF-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.68
Rot. Bonds5

About 2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide

2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 18901028) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID18901028
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(SCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H18N2O2S/c1-12-6-8-14(9-7-12)19-17(21)11-22-16-5-3-4-15(10-16)18-13(2)20/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDNZICNQHADJZRF-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907054
N-(4-acetamidophenyl)-2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19317247
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
N-(3-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316652
N-(4-ethoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316662
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907057
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 19317209
N-(3-chloro-4-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316669
N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide (CID 18901028) is 2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide is CC(=O)Nc1cccc(SCC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is DNZICNQHADJZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-6-8-14(9-7-12)19-17(21)11-22-16-5-3-4-15(10-16)18-13(2)20/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 18901028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).