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

C17H23N3O2S — CID 111453026

IUPAC1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCc1cc(NC(=O)NCC(C)(O)c2ccsc2)ccc1N(C)C
InChIInChI=1S/C17H23N3O2S/c1-12-9-14(5-6-15(12)20(3)4)19-16(21)18-11-17(2,22)13-7-8-23-10-13/h5-10,22H,11H2,1-4H3,(H2,18,19,21)
InChIKeyGPEMMDSHGFLURD-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.15
Rot. Bonds5

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

1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (PubChem CID 111453026) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
PubChem CID111453026
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCc1cc(NC(=O)NCC(C)(O)c2ccsc2)ccc1N(C)C
InChIInChI=1S/C17H23N3O2S/c1-12-9-14(5-6-15(12)20(3)4)19-16(21)18-11-17(2,22)13-7-8-23-10-13/h5-10,22H,11H2,1-4H3,(H2,18,19,21)
InChIKeyGPEMMDSHGFLURD-UHFFFAOYSA-N
XLogP3.15
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-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-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450202
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(4-nitrophenyl)urea
CID 95775457
1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 75523367
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110894213
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 95775579
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111521345
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (CID 111453026) is 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is Cc1cc(NC(=O)NCC(C)(O)c2ccsc2)ccc1N(C)C.
What is the InChIKey of 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The InChIKey is GPEMMDSHGFLURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-9-14(5-6-15(12)20(3)4)19-16(21)18-11-17(2,22)13-7-8-23-10-13/h5-10,22H,11H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea has a molecular weight of 333.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is sourced from PubChem (CID 111453026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).