N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

C16H14N2O2S — CID 645052

IUPACN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C16H14N2O2S/c19-16(15-7-4-10-21-15)18(12-14-6-3-9-20-14)11-13-5-1-2-8-17-13/h1-10H,11-12H2
InChIKeyPFNICXOHNQWGNB-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.58
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 645052) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID645052
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C16H14N2O2S/c19-16(15-7-4-10-21-15)18(12-14-6-3-9-20-14)11-13-5-1-2-8-17-13/h1-10H,11-12H2
InChIKeyPFNICXOHNQWGNB-UHFFFAOYSA-N
XLogP3.58
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (CID 645052) is N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is PFNICXOHNQWGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-16(15-7-4-10-21-15)18(12-14-6-3-9-20-14)11-13-5-1-2-8-17-13/h1-10H,11-12H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.58, 5 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)thiophene-2-carboxamide is sourced from PubChem (CID 645052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).