1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea

C16H20N2O2S — CID 99981744

IUPAC1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
SMILESCc1ccc(NC(=O)NCC[C@H](O)c2ccsc2)cc1C
InChIInChI=1S/C16H20N2O2S/c1-11-3-4-14(9-12(11)2)18-16(20)17-7-5-15(19)13-6-8-21-10-13/h3-4,6,8-10,15,19H,5,7H2,1-2H3,(H2,17,18,20)/t15-/m0/s1
InChIKeyJVKYNMASVJSCEW-HNNXBMFYSA-N
MW304.42 g/mol
LogP3.61
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea

1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea (PubChem CID 99981744) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
PubChem CID99981744
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
SMILESCc1ccc(NC(=O)NCC[C@H](O)c2ccsc2)cc1C
InChIInChI=1S/C16H20N2O2S/c1-11-3-4-14(9-12(11)2)18-16(20)17-7-5-15(19)13-6-8-21-10-13/h3-4,6,8-10,15,19H,5,7H2,1-2H3,(H2,17,18,20)/t15-/m0/s1
InChIKeyJVKYNMASVJSCEW-HNNXBMFYSA-N
XLogP3.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-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-(1,3-benzodioxol-5-yl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981757
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 121132268
1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981751
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N-[4-[(3-hydroxy-3-thiophen-3-ylpropyl)sulfamoyl]-3-methylphenyl]propanamide
CID 121132251
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132291
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea (CID 99981744) is 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea is Cc1ccc(NC(=O)NCC[C@H](O)c2ccsc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea?
The InChIKey is JVKYNMASVJSCEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-3-4-14(9-12(11)2)18-16(20)17-7-5-15(19)13-6-8-21-10-13/h3-4,6,8-10,15,19H,5,7H2,1-2H3,(H2,17,18,20)/t15-/m0/s1.
What are the key properties of 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea?
1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea has a molecular weight of 304.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea is sourced from PubChem (CID 99981744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).