1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea

C17H20N2OS — CID 52546181

IUPAC1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea
SMILESO=C(Nc1ccccc1-c1cccs1)NC1CCCCC1
InChIInChI=1S/C17H20N2OS/c20-17(18-13-7-2-1-3-8-13)19-15-10-5-4-9-14(15)16-11-6-12-21-16/h4-6,9-13H,1-3,7-8H2,(H2,18,19,20)
InChIKeyJJMNKYHSORNRPR-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.87
Rot. Bonds3

About 1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea

1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea (PubChem CID 52546181) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea
PubChem CID52546181
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea
SMILESO=C(Nc1ccccc1-c1cccs1)NC1CCCCC1
InChIInChI=1S/C17H20N2OS/c20-17(18-13-7-2-1-3-8-13)19-15-10-5-4-9-14(15)16-11-6-12-21-16/h4-6,9-13H,1-3,7-8H2,(H2,18,19,20)
InChIKeyJJMNKYHSORNRPR-UHFFFAOYSA-N
XLogP4.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclopropyl-3-(2-phenylphenyl)urea
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N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea (CID 52546181) is 1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea is O=C(Nc1ccccc1-c1cccs1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea?
The InChIKey is JJMNKYHSORNRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(18-13-7-2-1-3-8-13)19-15-10-5-4-9-14(15)16-11-6-12-21-16/h4-6,9-13H,1-3,7-8H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea?
1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea has a molecular weight of 300.43 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea is sourced from PubChem (CID 52546181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).