1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea

C15H14N2O2S — CID 108886350

IUPAC1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccccc2S)cc1
InChIInChI=1S/C15H14N2O2S/c1-10(18)11-6-8-12(9-7-11)16-15(19)17-13-4-2-3-5-14(13)20/h2-9,20H,1H3,(H2,16,17,19)
InChIKeyNBLWJJQQUCMORC-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.82
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea

1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea (PubChem CID 108886350) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea
PubChem CID108886350
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccccc2S)cc1
InChIInChI=1S/C15H14N2O2S/c1-10(18)11-6-8-12(9-7-11)16-15(19)17-13-4-2-3-5-14(13)20/h2-9,20H,1H3,(H2,16,17,19)
InChIKeyNBLWJJQQUCMORC-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea (CID 108886350) is 1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea is CC(=O)c1ccc(NC(=O)Nc2ccccc2S)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea?
The InChIKey is NBLWJJQQUCMORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10(18)11-6-8-12(9-7-11)16-15(19)17-13-4-2-3-5-14(13)20/h2-9,20H,1H3,(H2,16,17,19).
What are the key properties of 1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea?
1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea has a molecular weight of 286.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea is sourced from PubChem (CID 108886350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).