3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea

C21H29N3O2S — CID 4247296

IUPAC3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
SMILESCCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1
InChIInChI=1S/C21H29N3O2S/c1-2-18-6-8-19(9-7-18)22-21(25)24(17-20-5-3-16-27-20)11-4-10-23-12-14-26-15-13-23/h3,5-9,16H,2,4,10-15,17H2,1H3,(H,22,25)
InChIKeyHEDRUNDAXJRNDL-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.07
Rot. Bonds8

About 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea

3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 4247296) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID4247296
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
SMILESCCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1
InChIInChI=1S/C21H29N3O2S/c1-2-18-6-8-19(9-7-18)22-21(25)24(17-20-5-3-16-27-20)11-4-10-23-12-14-26-15-13-23/h3,5-9,16H,2,4,10-15,17H2,1H3,(H,22,25)
InChIKeyHEDRUNDAXJRNDL-UHFFFAOYSA-N
XLogP4.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)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 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea (CID 4247296) is 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea is CCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is HEDRUNDAXJRNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-2-18-6-8-19(9-7-18)22-21(25)24(17-20-5-3-16-27-20)11-4-10-23-12-14-26-15-13-23/h3,5-9,16H,2,4,10-15,17H2,1H3,(H,22,25).
What are the key properties of 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 387.55 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 4247296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).