1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea

C16H20N2OS — CID 47134017

IUPAC1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCCc1ccccc1)NCCc1cccs1
InChIInChI=1S/C16H20N2OS/c19-16(18-12-10-15-9-5-13-20-15)17-11-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,13H,4,8,10-12H2,(H2,17,18,19)
InChIKeyXMTPFYAAYUAIMT-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.22
Rot. Bonds7

About 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea

1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 47134017) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID47134017
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCCc1ccccc1)NCCc1cccs1
InChIInChI=1S/C16H20N2OS/c19-16(18-12-10-15-9-5-13-20-15)17-11-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,13H,4,8,10-12H2,(H2,17,18,19)
InChIKeyXMTPFYAAYUAIMT-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)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

N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-Methyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-4-yl)urea
CID 2832751
1-[2-(5-Ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea
CID 21469690
1-[2-(5-Ethyl-1-benzothiophen-3-yl)ethyl]-3-propylurea
CID 21469693
1-[2-(Dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 71887675
1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 94438674
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403
1-Benzyl-3-(thiophen-2-ylmethyl)urea
CID 858197
1-Cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2999174
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 3222750
1-Phenethyl-3-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)urea
CID 71787153

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea (CID 47134017) is 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea is O=C(NCCCc1ccccc1)NCCc1cccs1.
What is the InChIKey of 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is XMTPFYAAYUAIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-16(18-12-10-15-9-5-13-20-15)17-11-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,13H,4,8,10-12H2,(H2,17,18,19).
What are the key properties of 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea?
1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 288.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 47134017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).