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

C16H20N2O2S — CID 33421421

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOc1ccccc1CCNC(=O)NCc1sccc1C
InChIInChI=1S/C16H20N2O2S/c1-12-8-10-21-15(12)11-18-16(19)17-9-7-13-5-3-4-6-14(13)20-2/h3-6,8,10H,7,9,11H2,1-2H3,(H2,17,18,19)
InChIKeyGLSKVPPHGXHEPE-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.11
Rot. Bonds6

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

1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 33421421) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID33421421
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOc1ccccc1CCNC(=O)NCc1sccc1C
InChIInChI=1S/C16H20N2O2S/c1-12-8-10-21-15(12)11-18-16(19)17-9-7-13-5-3-4-6-14(13)20-2/h3-6,8,10H,7,9,11H2,1-2H3,(H2,17,18,19)
InChIKeyGLSKVPPHGXHEPE-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
3-(2-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 134056529
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 81420408
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 110674272
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 113214456

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea (CID 33421421) is 1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea is COc1ccccc1CCNC(=O)NCc1sccc1C.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is GLSKVPPHGXHEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-8-10-21-15(12)11-18-16(19)17-9-7-13-5-3-4-6-14(13)20-2/h3-6,8,10H,7,9,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 304.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 33421421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).