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

C16H18N2O2S — CID 72688100

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2S/c1-21-14-9-5-8-13(10-14)17-16(20)18-15(11-19)12-6-3-2-4-7-12/h2-10,15,19H,11H2,1H3,(H2,17,18,20)
InChIKeyDAKYDIMPFNQISX-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.26
Rot. Bonds5

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

1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 72688100) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
PubChem CID72688100
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2S/c1-21-14-9-5-8-13(10-14)17-16(20)18-15(11-19)12-6-3-2-4-7-12/h2-10,15,19H,11H2,1H3,(H2,17,18,20)
InChIKeyDAKYDIMPFNQISX-UHFFFAOYSA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 72688028
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 3807651
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-butan-2-yl-3-(3-methylsulfanylphenyl)urea
CID 17087558
N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 56826961
1-(3-methylsulfanylphenyl)-3-[(2R)-pentan-2-yl]urea
CID 51928205
(2S)-3-methyl-2-[(3-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 61181842
(2S)-2-[(3-methylsulfanylphenyl)carbamoylamino]pentanoic acid
CID 107565890
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
(2S,3R)-3-hydroxy-2-[(3-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 104965710
N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea (CID 72688100) is 1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)NC(CO)c2ccccc2)c1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is DAKYDIMPFNQISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-21-14-9-5-8-13(10-14)17-16(20)18-15(11-19)12-6-3-2-4-7-12/h2-10,15,19H,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 302.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 72688100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).