N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide

C18H13N3OS — CID 10018852

IUPACN-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide
SMILESN#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccccc1
InChIInChI=1S/C18H13N3OS/c19-12-15-11-16(14-6-8-20-9-7-14)23-18(15)21-17(22)10-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,22)
InChIKeyZJKLXCTZYIJNPN-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.86
Rot. Bonds4

About N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide

N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide (PubChem CID 10018852) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide
PubChem CID10018852
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC NameN-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide
SMILESN#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccccc1
InChIInChI=1S/C18H13N3OS/c19-12-15-11-16(14-6-8-20-9-7-14)23-18(15)21-17(22)10-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,22)
InChIKeyZJKLXCTZYIJNPN-UHFFFAOYSA-N
XLogP3.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide?
The IUPAC name of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide (CID 10018852) is N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide is N#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide?
The InChIKey is ZJKLXCTZYIJNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c19-12-15-11-16(14-6-8-20-9-7-14)23-18(15)21-17(22)10-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,22).
What are the key properties of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide?
N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide has a molecular weight of 319.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide is sourced from PubChem (CID 10018852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).