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

C16H20N2O2S — CID 27517905

IUPAC3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOc1cccc(CNC(=O)N(C)Cc2sccc2C)c1
InChIInChI=1S/C16H20N2O2S/c1-12-7-8-21-15(12)11-18(2)16(19)17-10-13-5-4-6-14(9-13)20-3/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyVSGKPLDPAHUZSF-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.41
Rot. Bonds5

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

3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 27517905) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID27517905
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOc1cccc(CNC(=O)N(C)Cc2sccc2C)c1
InChIInChI=1S/C16H20N2O2S/c1-12-7-8-21-15(12)11-18(2)16(19)17-10-13-5-4-6-14(9-13)20-3/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyVSGKPLDPAHUZSF-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134006466
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
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3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421791
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 16608962
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421833
1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea
CID 86984495
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
CID 60612591

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea (CID 27517905) is 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea is COc1cccc(CNC(=O)N(C)Cc2sccc2C)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is VSGKPLDPAHUZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-7-8-21-15(12)11-18(2)16(19)17-10-13-5-4-6-14(9-13)20-3/h4-9H,10-11H2,1-3H3,(H,17,19).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 304.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 27517905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).