1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea

C19H18N2O2S — CID 71892671

IUPAC1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea
SMILESCN(Cc1cccc(O)c1)C(=O)Nc1ccccc1-c1cccs1
InChIInChI=1S/C19H18N2O2S/c1-21(13-14-6-4-7-15(22)12-14)19(23)20-17-9-3-2-8-16(17)18-10-5-11-24-18/h2-12,22H,13H2,1H3,(H,20,23)
InChIKeyLHWINTBWGODOHD-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.78
Rot. Bonds4

About 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea

1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea (PubChem CID 71892671) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea
PubChem CID71892671
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea
SMILESCN(Cc1cccc(O)c1)C(=O)Nc1ccccc1-c1cccs1
InChIInChI=1S/C19H18N2O2S/c1-21(13-14-6-4-7-15(22)12-14)19(23)20-17-9-3-2-8-16(17)18-10-5-11-24-18/h2-12,22H,13H2,1H3,(H,20,23)
InChIKeyLHWINTBWGODOHD-UHFFFAOYSA-N
XLogP4.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)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-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea
CID 78874480
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934042
1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea
CID 17467272
1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea
CID 60969760
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
(E)-4-oxo-4-(2-thiophen-2-ylanilino)but-2-enoic acid
CID 54868450
3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469920
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 47131140
1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea
CID 110891086

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea?
The IUPAC name of 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea (CID 71892671) is 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea?
The canonical SMILES for 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea is CN(Cc1cccc(O)c1)C(=O)Nc1ccccc1-c1cccs1.
What is the InChIKey of 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea?
The InChIKey is LHWINTBWGODOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-21(13-14-6-4-7-15(22)12-14)19(23)20-17-9-3-2-8-16(17)18-10-5-11-24-18/h2-12,22H,13H2,1H3,(H,20,23).
What are the key properties of 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea?
1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea has a molecular weight of 338.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea is sourced from PubChem (CID 71892671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).