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

C14H14N2O2S — CID 108886286

IUPAC1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2S)cc1
InChIInChI=1S/C14H14N2O2S/c1-18-11-8-6-10(7-9-11)15-14(17)16-12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H2,15,16,17)
InChIKeyCYEQPVQNVUNRKT-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.63
Rot. Bonds3

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

1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea (PubChem CID 108886286) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
PubChem CID108886286
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2S)cc1
InChIInChI=1S/C14H14N2O2S/c1-18-11-8-6-10(7-9-11)15-14(17)16-12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H2,15,16,17)
InChIKeyCYEQPVQNVUNRKT-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.63
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-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
CID 6465507
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-[1-(4-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886327
1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
CID 102497884
1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886350
1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886268
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea
CID 43602404
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
1-(2-hydroxy-3-phenylphenyl)-3-(4-methoxyphenyl)urea
CID 21184692

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea (CID 108886286) is 1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea is COc1ccc(NC(=O)Nc2ccccc2S)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea?
The InChIKey is CYEQPVQNVUNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-11-8-6-10(7-9-11)15-14(17)16-12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H2,15,16,17).
What are the key properties of 1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea?
1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea has a molecular weight of 274.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea is sourced from PubChem (CID 108886286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).