1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea

C16H20N2O3S — CID 166272250

IUPAC1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea
SMILESCc1cc(CNC(=O)NC(CCO)c2cccs2)ccc1O
InChIInChI=1S/C16H20N2O3S/c1-11-9-12(4-5-14(11)20)10-17-16(21)18-13(6-7-19)15-3-2-8-22-15/h2-5,8-9,13,19-20H,6-7,10H2,1H3,(H2,17,18,21)
InChIKeyWJMHYHBMPPGTKX-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.69
Rot. Bonds6

About 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea

1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea (PubChem CID 166272250) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea
PubChem CID166272250
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea
SMILESCc1cc(CNC(=O)NC(CCO)c2cccs2)ccc1O
InChIInChI=1S/C16H20N2O3S/c1-11-9-12(4-5-14(11)20)10-17-16(21)18-13(6-7-19)15-3-2-8-22-15/h2-5,8-9,13,19-20H,6-7,10H2,1H3,(H2,17,18,21)
InChIKeyWJMHYHBMPPGTKX-UHFFFAOYSA-N
XLogP2.69
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)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-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
3-[(3,4-dihydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 43727664
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 86826124
1-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 95775582
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 95976656
(2S)-4-hydroxy-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826899
methyl 3-[(3,4-dimethylphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43787009
1-[(4-fluoro-3-methylphenyl)methyl]-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111454178
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111505708
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea
CID 119106134

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea (CID 166272250) is 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea is Cc1cc(CNC(=O)NC(CCO)c2cccs2)ccc1O.
What is the InChIKey of 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea?
The InChIKey is WJMHYHBMPPGTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-9-12(4-5-14(11)20)10-17-16(21)18-13(6-7-19)15-3-2-8-22-15/h2-5,8-9,13,19-20H,6-7,10H2,1H3,(H2,17,18,21).
What are the key properties of 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea?
1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea has a molecular weight of 320.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 166272250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).