1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea

C16H18N2OS — CID 112839629

IUPAC1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C16H18N2OS/c1-11-7-8-12(2)15(9-11)18-16(19)17-13-5-4-6-14(10-13)20-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyWFVMFWPKGFMWQW-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.67
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea

1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 112839629) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea
PubChem CID112839629
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C16H18N2OS/c1-11-7-8-12(2)15(9-11)18-16(19)17-13-5-4-6-14(10-13)20-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyWFVMFWPKGFMWQW-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
1-(2-methoxy-5-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 51062441
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839711
1-[2-[[4-methyl-3-[(3-methylsulfanylphenyl)carbamoylamino]phenyl]methyl]phenyl]-3-(4-methylsulfanylphenyl)urea
CID 134232357
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108520093
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea (CID 112839629) is 1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is WFVMFWPKGFMWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-7-8-12(2)15(9-11)18-16(19)17-13-5-4-6-14(10-13)20-3/h4-10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea?
1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 286.40 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 112839629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).