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

C13H17N3O3S — CID 2086686

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H17N3O3S/c1-3-14-13(19)16-12(18)8-20-11-6-4-10(5-7-11)15-9(2)17/h4-7H,3,8H2,1-2H3,(H,15,17)(H2,14,16,18,19)
InChIKeyCORKDSKRHDLWDH-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.58
Rot. Bonds5

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

2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide (PubChem CID 2086686) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide
PubChem CID2086686
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H17N3O3S/c1-3-14-13(19)16-12(18)8-20-11-6-4-10(5-7-11)15-9(2)17/h4-7H,3,8H2,1-2H3,(H,15,17)(H2,14,16,18,19)
InChIKeyCORKDSKRHDLWDH-UHFFFAOYSA-N
XLogP1.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.58
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-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide (CID 2086686) is 2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide?
The InChIKey is CORKDSKRHDLWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-14-13(19)16-12(18)8-20-11-6-4-10(5-7-11)15-9(2)17/h4-7H,3,8H2,1-2H3,(H,15,17)(H2,14,16,18,19).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(ethylcarbamoyl)acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.58, 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-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 2086686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).