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

C17H23N3O3S — CID 7937351

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-12(21)18-14-7-9-15(10-8-14)24-11-16(22)20-17(23)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyDDZZRFMTHWHNPP-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.90
Rot. Bonds5

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

2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 7937351) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide
PubChem CID7937351
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-12(21)18-14-7-9-15(10-8-14)24-11-16(22)20-17(23)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyDDZZRFMTHWHNPP-UHFFFAOYSA-N
XLogP2.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide (CID 7937351) is 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide is CC(=O)Nc1ccc(SCC(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is DDZZRFMTHWHNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12(21)18-14-7-9-15(10-8-14)24-11-16(22)20-17(23)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,21)(H2,19,20,22,23).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 7937351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).