1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea

C17H20N2O2S — CID 110891079

IUPAC1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea
SMILESO=C(Nc1ccccc1-c1cccs1)NC1CCC(O)CC1
InChIInChI=1S/C17H20N2O2S/c20-13-9-7-12(8-10-13)18-17(21)19-15-5-2-1-4-14(15)16-6-3-11-22-16/h1-6,11-13,20H,7-10H2,(H2,18,19,21)
InChIKeyZHIBESHTGMMBEM-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.84
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea

1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea (PubChem CID 110891079) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea
PubChem CID110891079
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea
SMILESO=C(Nc1ccccc1-c1cccs1)NC1CCC(O)CC1
InChIInChI=1S/C17H20N2O2S/c20-13-9-7-12(8-10-13)18-17(21)19-15-5-2-1-4-14(15)16-6-3-11-22-16/h1-6,11-13,20H,7-10H2,(H2,18,19,21)
InChIKeyZHIBESHTGMMBEM-UHFFFAOYSA-N
XLogP3.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea
CID 52546181
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea
CID 110891086
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(2-thiophen-2-ylphenyl)urea
CID 94652918
(2S,5R)-5-(aminomethyl)-N-(2-thiophen-2-ylphenyl)oxolane-2-carboxamide
CID 120782509
N-(2-thiophen-2-ylphenyl)thian-4-amine
CID 43724571
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
CID 43709708
2-piperidin-4-yl-N-(2-thiophen-2-ylphenyl)acetamide
CID 61028561
N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline
CID 43724474
1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 60543205

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea (CID 110891079) is 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea is O=C(Nc1ccccc1-c1cccs1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea?
The InChIKey is ZHIBESHTGMMBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-13-9-7-12(8-10-13)18-17(21)19-15-5-2-1-4-14(15)16-6-3-11-22-16/h1-6,11-13,20H,7-10H2,(H2,18,19,21).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea?
1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea has a molecular weight of 316.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea is sourced from PubChem (CID 110891079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).