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

C16H11ClN2OS — CID 11493386

IUPACN-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C16H11ClN2OS/c17-12-1-3-13(4-2-12)19-16(20)15-6-5-14(21-15)11-7-9-18-10-8-11/h1-10H,(H,19,20)
InChIKeyNHNJTPBNTBBDDS-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.72
Rot. Bonds3

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

N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 11493386) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID11493386
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC NameN-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C16H11ClN2OS/c17-12-1-3-13(4-2-12)19-16(20)15-6-5-14(21-15)11-7-9-18-10-8-11/h1-10H,(H,19,20)
InChIKeyNHNJTPBNTBBDDS-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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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 26718880
N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 158545674
N,5-diphenylthiophene-2-carboxamide
CID 3746437
N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide
CID 161298223
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 18155395
5-(4-chlorophenyl)-N-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide
CID 17462093
N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218181
N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide
CID 43009139
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 99292344
5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide
CID 166322657

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide (CID 11493386) is N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccncc2)s1.
What is the InChIKey of N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is NHNJTPBNTBBDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-12-1-3-13(4-2-12)19-16(20)15-6-5-14(21-15)11-7-9-18-10-8-11/h1-10H,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide?
N-(4-chlorophenyl)-5-pyridin-4-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-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 11493386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).