N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C21H22N2O2S — CID 52906800

IUPACN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(N(Cc1ccccn1)Cc1ccco1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H22N2O2S/c24-20(21(10-2-3-11-21)19-9-6-14-26-19)23(16-18-8-5-13-25-18)15-17-7-1-4-12-22-17/h1,4-9,12-14H,2-3,10-11,15-16H2
InChIKeyYNZJUYFWOQGWOB-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.78
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 52906800) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID52906800
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(N(Cc1ccccn1)Cc1ccco1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H22N2O2S/c24-20(21(10-2-3-11-21)19-9-6-14-26-19)23(16-18-8-5-13-25-18)15-17-7-1-4-12-22-17/h1,4-9,12-14H,2-3,10-11,15-16H2
InChIKeyYNZJUYFWOQGWOB-UHFFFAOYSA-N
XLogP4.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide 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 N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 52906800) is N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(N(Cc1ccccn1)Cc1ccco1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is YNZJUYFWOQGWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-20(21(10-2-3-11-21)19-9-6-14-26-19)23(16-18-8-5-13-25-18)15-17-7-1-4-12-22-17/h1,4-9,12-14H,2-3,10-11,15-16H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 52906800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).