1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea

C15H18N2O2S — CID 90496950

IUPAC1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC(O)c2sccc2C)c1
InChIInChI=1S/C15H18N2O2S/c1-10-4-3-5-12(8-10)17-15(19)16-9-13(18)14-11(2)6-7-20-14/h3-8,13,18H,9H2,1-2H3,(H2,16,17,19)
InChIKeyHKRKBLKZPZVFCE-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea

1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea (PubChem CID 90496950) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
PubChem CID90496950
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC(O)c2sccc2C)c1
InChIInChI=1S/C15H18N2O2S/c1-10-4-3-5-12(8-10)17-15(19)16-9-13(18)14-11(2)6-7-20-14/h3-8,13,18H,9H2,1-2H3,(H2,16,17,19)
InChIKeyHKRKBLKZPZVFCE-UHFFFAOYSA-N
XLogP3.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496902
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 95367109
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197
1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
CID 111444676
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183
2-[[(3-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 65217917
1-(3-bromophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031800
4,4-dimethyl-2-[[(3-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 107473750
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea (CID 90496950) is 1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCC(O)c2sccc2C)c1.
What is the InChIKey of 1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea?
The InChIKey is HKRKBLKZPZVFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-4-3-5-12(8-10)17-15(19)16-9-13(18)14-11(2)6-7-20-14/h3-8,13,18H,9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea?
1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea has a molecular weight of 290.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 90496950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).