N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide

C16H14N2O2S — CID 3000000

IUPACN-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide
SMILESCC(c1ccco1)N(C(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C16H14N2O2S/c1-12(13-6-4-10-20-13)18(15-8-2-3-9-17-15)16(19)14-7-5-11-21-14/h2-12H,1H3
InChIKeyLBMQXLTXCTWBCV-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.14
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide

N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 3000000) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide
PubChem CID3000000
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide
SMILESCC(c1ccco1)N(C(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C16H14N2O2S/c1-12(13-6-4-10-20-13)18(15-8-2-3-9-17-15)16(19)14-7-5-11-21-14/h2-12H,1H3
InChIKeyLBMQXLTXCTWBCV-UHFFFAOYSA-N
XLogP4.14
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide (CID 3000000) is N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide is CC(c1ccco1)N(C(=O)c1cccs1)c1ccccn1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is LBMQXLTXCTWBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-12(13-6-4-10-20-13)18(15-8-2-3-9-17-15)16(19)14-7-5-11-21-14/h2-12H,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide?
N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 3000000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).