1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea

C16H24N2O2S — CID 111475151

IUPAC1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
SMILESCCSCc1cccc(NC(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C16H24N2O2S/c1-2-21-11-12-4-3-5-14(10-12)18-16(20)17-13-6-8-15(19)9-7-13/h3-5,10,13,15,19H,2,6-9,11H2,1H3,(H2,17,18,20)
InChIKeyIHHVVUVJVVEOIW-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.36
Rot. Bonds5

About 1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea

1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 111475151) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID111475151
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
SMILESCCSCc1cccc(NC(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C16H24N2O2S/c1-2-21-11-12-4-3-5-14(10-12)18-16(20)17-13-6-8-15(19)9-7-13/h3-5,10,13,15,19H,2,6-9,11H2,1H3,(H2,17,18,20)
InChIKeyIHHVVUVJVVEOIW-UHFFFAOYSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[(2-methoxy-2-oxoethyl)sulfanylmethyl]phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079391
1-(3-ethylphenyl)-3-piperidin-4-ylurea
CID 91143160
1-[3-(ethylsulfanylmethyl)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71923246
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926572
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366
N-[3-(ethylsulfanylmethyl)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111475142
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890419
1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533666
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea (CID 111475151) is 1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea is CCSCc1cccc(NC(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of 1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is IHHVVUVJVVEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-21-11-12-4-3-5-14(10-12)18-16(20)17-13-6-8-15(19)9-7-13/h3-5,10,13,15,19H,2,6-9,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea?
1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 308.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 111475151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).