1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea

C19H27N3OS — CID 71887675

IUPAC1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
SMILESCC(Cc1ccsc1)NC(=O)NCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C19H27N3OS/c1-15(11-17-9-10-24-14-17)21-19(23)20-13-18(22(2)3)12-16-7-5-4-6-8-16/h4-10,14-15,18H,11-13H2,1-3H3,(H2,20,21,23)
InChIKeyLGUNAZMQJSOQTG-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.15
Rot. Bonds8

About 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea

1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea (PubChem CID 71887675) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
PubChem CID71887675
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
SMILESCC(Cc1ccsc1)NC(=O)NCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C19H27N3OS/c1-15(11-17-9-10-24-14-17)21-19(23)20-13-18(22(2)3)12-16-7-5-4-6-8-16/h4-10,14-15,18H,11-13H2,1-3H3,(H2,20,21,23)
InChIKeyLGUNAZMQJSOQTG-UHFFFAOYSA-N
XLogP3.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea (CID 71887675) is 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea is CC(Cc1ccsc1)NC(=O)NCC(Cc1ccccc1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea?
The InChIKey is LGUNAZMQJSOQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-15(11-17-9-10-24-14-17)21-19(23)20-13-18(22(2)3)12-16-7-5-4-6-8-16/h4-10,14-15,18H,11-13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea?
1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea has a molecular weight of 345.51 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea is sourced from PubChem (CID 71887675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).