1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea

C20H26N2O2S — CID 4090826

IUPAC1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea
SMILESCOc1cccc(NC(=O)N(C2CCCCC2)C(C)c2cccs2)c1
InChIInChI=1S/C20H26N2O2S/c1-15(19-12-7-13-25-19)22(17-9-4-3-5-10-17)20(23)21-16-8-6-11-18(14-16)24-2/h6-8,11-15,17H,3-5,9-10H2,1-2H3,(H,21,23)
InChIKeyYFWKWHAEJUGAAQ-UHFFFAOYSA-N
MW358.51 g/mol
LogP5.68
Rot. Bonds5

About 1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea

1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea (PubChem CID 4090826) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea
PubChem CID4090826
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea
SMILESCOc1cccc(NC(=O)N(C2CCCCC2)C(C)c2cccs2)c1
InChIInChI=1S/C20H26N2O2S/c1-15(19-12-7-13-25-19)22(17-9-4-3-5-10-17)20(23)21-16-8-6-11-18(14-16)24-2/h6-8,11-15,17H,3-5,9-10H2,1-2H3,(H,21,23)
InChIKeyYFWKWHAEJUGAAQ-UHFFFAOYSA-N
XLogP5.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea (CID 4090826) is 1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea is COc1cccc(NC(=O)N(C2CCCCC2)C(C)c2cccs2)c1.
What is the InChIKey of 1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea?
The InChIKey is YFWKWHAEJUGAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15(19-12-7-13-25-19)22(17-9-4-3-5-10-17)20(23)21-16-8-6-11-18(14-16)24-2/h6-8,11-15,17H,3-5,9-10H2,1-2H3,(H,21,23).
What are the key properties of 1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea?
1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea has a molecular weight of 358.51 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methoxyphenyl)-1-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 4090826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).