1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea

C15H18N2OS — CID 33420120

IUPAC1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1cccc(CNC(=O)NCc2sccc2C)c1
InChIInChI=1S/C15H18N2OS/c1-11-4-3-5-13(8-11)9-16-15(18)17-10-14-12(2)6-7-19-14/h3-8H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyIOHORWXXYGLFOR-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.36
Rot. Bonds4

About 1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea

1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 33420120) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID33420120
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1cccc(CNC(=O)NCc2sccc2C)c1
InChIInChI=1S/C15H18N2OS/c1-11-4-3-5-13(8-11)9-16-15(18)17-10-14-12(2)6-7-19-14/h3-8H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyIOHORWXXYGLFOR-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea
CID 33421608
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
1-(3-bromophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031800
1-[(3-methylphenyl)methyl]-3-(3-oxobutyl)urea
CID 108895266
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094
1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031902
1-[(3-bromophenyl)methyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111883471
(3-methylphenyl)methylurea
CID 60776531
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773
1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea
CID 108894571
1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 111423659

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea (CID 33420120) is 1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea is Cc1cccc(CNC(=O)NCc2sccc2C)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is IOHORWXXYGLFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-4-3-5-13(8-11)9-16-15(18)17-10-14-12(2)6-7-19-14/h3-8H,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 274.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 33420120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).