N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

C17H16N2OS2 — CID 71781277

IUPACN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C17H16N2OS2/c20-17(16-6-3-11-22-16)19(9-7-15-5-2-10-21-15)13-14-4-1-8-18-12-14/h1-6,8,10-12H,7,9,13H2
InChIKeyCQAGXVWQGZWBRG-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.09
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 71781277) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID71781277
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C17H16N2OS2/c20-17(16-6-3-11-22-16)19(9-7-15-5-2-10-21-15)13-14-4-1-8-18-12-14/h1-6,8,10-12H,7,9,13H2
InChIKeyCQAGXVWQGZWBRG-UHFFFAOYSA-N
XLogP4.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 71781277) is N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is O=C(c1cccs1)N(CCc1cccs1)Cc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is CQAGXVWQGZWBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c20-17(16-6-3-11-22-16)19(9-7-15-5-2-10-21-15)13-14-4-1-8-18-12-14/h1-6,8,10-12H,7,9,13H2.
What are the key properties of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 71781277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).