1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea

C17H20N2OS — CID 935299

IUPAC1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C17H20N2OS/c20-17(18-14-7-2-1-3-8-14)19(15-9-4-5-10-15)13-16-11-6-12-21-16/h1-3,6-8,11-12,15H,4-5,9-10,13H2,(H,18,20)
InChIKeyDQNHGNSGJKETDJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.72
Rot. Bonds4

About 1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea

1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 935299) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
PubChem CID935299
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C17H20N2OS/c20-17(18-14-7-2-1-3-8-14)19(15-9-4-5-10-15)13-16-11-6-12-21-16/h1-3,6-8,11-12,15H,4-5,9-10,13H2,(H,18,20)
InChIKeyDQNHGNSGJKETDJ-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-3-phenyl-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 1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea (CID 935299) is 1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea is O=C(Nc1ccccc1)N(Cc1cccs1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is DQNHGNSGJKETDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(18-14-7-2-1-3-8-14)19(15-9-4-5-10-15)13-16-11-6-12-21-16/h1-3,6-8,11-12,15H,4-5,9-10,13H2,(H,18,20).
What are the key properties of 1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 300.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 935299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).