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

C19H15N3O2S — CID 10337885

IUPACN-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)cc1
InChIInChI=1S/C19H15N3O2S/c1-24-16-4-2-13(3-5-16)10-18(23)22-19-15(12-20)11-17(25-19)14-6-8-21-9-7-14/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyKCRRSNBXMKNFMG-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.87
Rot. Bonds5

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

N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 10337885) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID10337885
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)cc1
InChIInChI=1S/C19H15N3O2S/c1-24-16-4-2-13(3-5-16)10-18(23)22-19-15(12-20)11-17(25-19)14-6-8-21-9-7-14/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyKCRRSNBXMKNFMG-UHFFFAOYSA-N
XLogP3.87
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide (CID 10337885) is N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)cc1.
What is the InChIKey of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is KCRRSNBXMKNFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-24-16-4-2-13(3-5-16)10-18(23)22-19-15(12-20)11-17(25-19)14-6-8-21-9-7-14/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 10337885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).