2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide

C10H12N2O3S — CID 47262922

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C10H12N2O3S/c1-11-10(15)12-9(14)6-16-8-4-2-7(13)3-5-8/h2-5,13H,6H2,1H3,(H2,11,12,14,15)
InChIKeyJKEJNHWNGWSOIE-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.94
Rot. Bonds3

About 2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide

2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide (PubChem CID 47262922) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
PubChem CID47262922
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C10H12N2O3S/c1-11-10(15)12-9(14)6-16-8-4-2-7(13)3-5-8/h2-5,13H,6H2,1H3,(H2,11,12,14,15)
InChIKeyJKEJNHWNGWSOIE-UHFFFAOYSA-N
XLogP0.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide (CID 47262922) is 2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The InChIKey is JKEJNHWNGWSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-11-10(15)12-9(14)6-16-8-4-2-7(13)3-5-8/h2-5,13H,6H2,1H3,(H2,11,12,14,15).
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide has a molecular weight of 240.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 47262922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).