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

C20H18N2O2S — CID 17298814

IUPAC1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-24-16-13-11-15(12-14-16)21-20(23)22-18-9-5-6-10-19(18)25-17-7-3-2-4-8-17/h2-14H,1H3,(H2,21,22,23)
InChIKeyPSVOEGVHWUJECH-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.49
Rot. Bonds5

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

1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea (PubChem CID 17298814) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
PubChem CID17298814
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-24-16-13-11-15(12-14-16)21-20(23)22-18-9-5-6-10-19(18)25-17-7-3-2-4-8-17/h2-14H,1H3,(H2,21,22,23)
InChIKeyPSVOEGVHWUJECH-UHFFFAOYSA-N
XLogP5.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 108869420
1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
CID 6465507
ethyl [4-[(2-phenylsulfanylphenyl)carbamoylamino]phenyl] carbonate
CID 108865530
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837
1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886286
1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896212
(Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-phenylsulfanylanilino)prop-2-enamide
CID 108828462
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 2212233
1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
CID 102497884
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea (CID 17298814) is 1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea is COc1ccc(NC(=O)Nc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea?
The InChIKey is PSVOEGVHWUJECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-24-16-13-11-15(12-14-16)21-20(23)22-18-9-5-6-10-19(18)25-17-7-3-2-4-8-17/h2-14H,1H3,(H2,21,22,23).
What are the key properties of 1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea?
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea has a molecular weight of 350.44 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea is sourced from PubChem (CID 17298814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).