3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide

C13H19NOS — CID 845104

IUPAC3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCC1CCCC1)NCc1cccs1
InChIInChI=1S/C13H19NOS/c15-13(8-7-11-4-1-2-5-11)14-10-12-6-3-9-16-12/h3,6,9,11H,1-2,4-5,7-8,10H2,(H,14,15)
InChIKeyNXXVUMKPYGWIBI-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.33
Rot. Bonds5

About 3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide

3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 845104) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID845104
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCC1CCCC1)NCc1cccs1
InChIInChI=1S/C13H19NOS/c15-13(8-7-11-4-1-2-5-11)14-10-12-6-3-9-16-12/h3,6,9,11H,1-2,4-5,7-8,10H2,(H,14,15)
InChIKeyNXXVUMKPYGWIBI-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide (CID 845104) is 3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide is O=C(CCC1CCCC1)NCc1cccs1.
What is the InChIKey of 3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is NXXVUMKPYGWIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c15-13(8-7-11-4-1-2-5-11)14-10-12-6-3-9-16-12/h3,6,9,11H,1-2,4-5,7-8,10H2,(H,14,15).
What are the key properties of 3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide?
3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 237.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 845104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).