N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide

C17H14N2OS — CID 668939

IUPACN-benzyl-N-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C17H14N2OS/c20-17(15-9-6-12-21-15)19(16-10-4-5-11-18-16)13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyAVNHLGOIGSJODA-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.99
Rot. Bonds4

About N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide

N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 668939) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-pyridin-2-ylthiophene-2-carboxamide
PubChem CID668939
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-benzyl-N-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C17H14N2OS/c20-17(15-9-6-12-21-15)19(16-10-4-5-11-18-16)13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyAVNHLGOIGSJODA-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide (CID 668939) is N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide is O=C(c1cccs1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is AVNHLGOIGSJODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(15-9-6-12-21-15)19(16-10-4-5-11-18-16)13-14-7-2-1-3-8-14/h1-12H,13H2.
What are the key properties of N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide?
N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 668939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).