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

C15H14N2O2S — CID 108886351

IUPAC1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccccc2S)c1
InChIInChI=1S/C15H14N2O2S/c1-10(18)11-5-4-6-12(9-11)16-15(19)17-13-7-2-3-8-14(13)20/h2-9,20H,1H3,(H2,16,17,19)
InChIKeyYBVKEWXIBCBHBY-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.82
Rot. Bonds3

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

1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea (PubChem CID 108886351) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea
PubChem CID108886351
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccccc2S)c1
InChIInChI=1S/C15H14N2O2S/c1-10(18)11-5-4-6-12(9-11)16-15(19)17-13-7-2-3-8-14(13)20/h2-9,20H,1H3,(H2,16,17,19)
InChIKeyYBVKEWXIBCBHBY-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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Related Compounds

1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886350
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
CID 61345864
1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886286
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
methyl 3-[(2-iodophenyl)carbamoylamino]benzoate
CID 108869084

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea (CID 108886351) is 1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea is CC(=O)c1cccc(NC(=O)Nc2ccccc2S)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea?
The InChIKey is YBVKEWXIBCBHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10(18)11-5-4-6-12(9-11)16-15(19)17-13-7-2-3-8-14(13)20/h2-9,20H,1H3,(H2,16,17,19).
What are the key properties of 1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea?
1-(3-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-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea is sourced from PubChem (CID 108886351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).