2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide

C19H20N2O2S — CID 71781279

IUPAC2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCc2cccs2)Cc2cccnc2)c(C)o1
InChIInChI=1S/C19H20N2O2S/c1-14-11-18(15(2)23-14)19(22)21(9-7-17-6-4-10-24-17)13-16-5-3-8-20-12-16/h3-6,8,10-12H,7,9,13H2,1-2H3
InChIKeyFHFKNDKBYMTJID-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.24
Rot. Bonds6

About 2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide

2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide (PubChem CID 71781279) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide
PubChem CID71781279
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCc2cccs2)Cc2cccnc2)c(C)o1
InChIInChI=1S/C19H20N2O2S/c1-14-11-18(15(2)23-14)19(22)21(9-7-17-6-4-10-24-17)13-16-5-3-8-20-12-16/h3-6,8,10-12H,7,9,13H2,1-2H3
InChIKeyFHFKNDKBYMTJID-UHFFFAOYSA-N
XLogP4.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide (CID 71781279) is 2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide is Cc1cc(C(=O)N(CCc2cccs2)Cc2cccnc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide?
The InChIKey is FHFKNDKBYMTJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-11-18(15(2)23-14)19(22)21(9-7-17-6-4-10-24-17)13-16-5-3-8-20-12-16/h3-6,8,10-12H,7,9,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide?
2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)furan-3-carboxamide is sourced from PubChem (CID 71781279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).