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

C15H16N2O2S — CID 6465507

IUPAC1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-12-9-7-11(8-10-12)16-15(18)17-13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyAYPMLFJPBWUHMF-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.06
Rot. Bonds4

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

1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea (PubChem CID 6465507) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
PubChem CID6465507
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-12-9-7-11(8-10-12)16-15(18)17-13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyAYPMLFJPBWUHMF-UHFFFAOYSA-N
XLogP4.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909
1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886286
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
CID 102497884
1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea
CID 43602404
1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
1-(2-hydroxy-3-phenylphenyl)-3-(4-methoxyphenyl)urea
CID 21184692
1-(3,5-dimethoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 108869420
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540210

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea (CID 6465507) is 1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea is COc1ccc(NC(=O)Nc2ccccc2SC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
The InChIKey is AYPMLFJPBWUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-12-9-7-11(8-10-12)16-15(18)17-13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea?
1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea has a molecular weight of 288.37 g/mol, XLogP of 4.06, 4 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-methylsulfanylphenyl)urea is sourced from PubChem (CID 6465507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).