N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide

C16H11ClN2OS — CID 2819703

IUPACN-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C16H11ClN2OS/c17-11-4-6-12(7-5-11)19-16(20)15-9-8-14(21-15)13-3-1-2-10-18-13/h1-10H,(H,19,20)
InChIKeyIFNXTTSMUGZXCH-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.72
Rot. Bonds3

About N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide

N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 2819703) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide
PubChem CID2819703
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC NameN-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C16H11ClN2OS/c17-11-4-6-12(7-5-11)19-16(20)15-9-8-14(21-15)13-3-1-2-10-18-13/h1-10H,(H,19,20)
InChIKeyIFNXTTSMUGZXCH-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide (CID 2819703) is N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccn2)s1.
What is the InChIKey of N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is IFNXTTSMUGZXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-11-4-6-12(7-5-11)19-16(20)15-9-8-14(21-15)13-3-1-2-10-18-13/h1-10H,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide?
N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 314.80 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 2819703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).