1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea

C17H26N2O2S — CID 111751211

IUPAC1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESCCSC1CCCC(NC(=O)NC(CO)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2S/c1-2-22-15-10-6-9-14(11-15)18-17(21)19-16(12-20)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,2,6,9-12H2,1H3,(H2,18,19,21)
InChIKeyVPDMCNKCZJBFLE-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.08
Rot. Bonds6

About 1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea

1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 111751211) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID111751211
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESCCSC1CCCC(NC(=O)NC(CO)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2S/c1-2-22-15-10-6-9-14(11-15)18-17(21)19-16(12-20)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,2,6,9-12H2,1H3,(H2,18,19,21)
InChIKeyVPDMCNKCZJBFLE-UHFFFAOYSA-N
XLogP3.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 110007137
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
1-(3-ethylsulfanylcyclohexyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111751203
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea
CID 124866784
1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
CID 111509432
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
CID 119945965
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106612
1-(3-ethylsulfanylcyclohexyl)-3-(1-methylpyrazol-4-yl)urea
CID 71978962

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea (CID 111751211) is 1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea is CCSC1CCCC(NC(=O)NC(CO)c2ccccc2)C1.
What is the InChIKey of 1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is VPDMCNKCZJBFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-2-22-15-10-6-9-14(11-15)18-17(21)19-16(12-20)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,2,6,9-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea?
1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 322.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 111751211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).