1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea

C15H24N2O2S — CID 111926572

IUPAC1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCSCc1cccc(NC(=O)NC(C)(CC)CO)c1
InChIInChI=1S/C15H24N2O2S/c1-4-15(3,11-18)17-14(19)16-13-8-6-7-12(9-13)10-20-5-2/h6-9,18H,4-5,10-11H2,1-3H3,(H2,16,17,19)
InChIKeyZMLXIYXNFNBAOC-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.22
Rot. Bonds7

About 1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea

1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111926572) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111926572
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCSCc1cccc(NC(=O)NC(C)(CC)CO)c1
InChIInChI=1S/C15H24N2O2S/c1-4-15(3,11-18)17-14(19)16-13-8-6-7-12(9-13)10-20-5-2/h6-9,18H,4-5,10-11H2,1-3H3,(H2,16,17,19)
InChIKeyZMLXIYXNFNBAOC-UHFFFAOYSA-N
XLogP3.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)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-[3-(tert-butylsulfinylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754902
1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754772
1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 71924647
1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 111475151
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
1-[3-(aminomethyl)phenyl]-3-(2-methylbutan-2-yl)urea
CID 43133022
1-[3-(ethylsulfanylmethyl)phenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111475152
3-[[3-(2,2-dimethylbutanoylamino)phenyl]methylsulfanyl]propanoic acid
CID 119240983
N-[3-(ethylsulfanylmethyl)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111475142
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]urea
CID 111926599
1-(3,5-difluoro-4-methoxyphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754716
2-hydroxy-3-[[3-[(3-methoxy-3-oxopropyl)sulfanylmethyl]phenyl]carbamoylamino]-2-methylpropanoic acid
CID 122079452

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea (CID 111926572) is 1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea is CCSCc1cccc(NC(=O)NC(C)(CC)CO)c1.
What is the InChIKey of 1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is ZMLXIYXNFNBAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-15(3,11-18)17-14(19)16-13-8-6-7-12(9-13)10-20-5-2/h6-9,18H,4-5,10-11H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 296.44 g/mol, XLogP of 3.22, 7 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-(1-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111926572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).