2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide

C17H18N2O2S2 — CID 42154208

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CSc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H18N2O2S2/c1-12(20)18-13-5-9-16(10-6-13)23-11-17(21)19-14-3-7-15(22-2)8-4-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMBCMWKUCNAXKTL-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 42154208) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
PubChem CID42154208
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CSc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H18N2O2S2/c1-12(20)18-13-5-9-16(10-6-13)23-11-17(21)19-14-3-7-15(22-2)8-4-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMBCMWKUCNAXKTL-UHFFFAOYSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-[[4-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785321
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024
2-(4-acetamidophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2080436
3-(4-methylsulfanylanilino)-3-oxopropanoic acid
CID 62230727
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176
N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18153979
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26599953

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide (CID 42154208) is 2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)CSc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is MBCMWKUCNAXKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-12(20)18-13-5-9-16(10-6-13)23-11-17(21)19-14-3-7-15(22-2)8-4-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 346.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 42154208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).