N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide

C18H16N2OS — CID 11536859

IUPACN-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3ccncc3)s2)cc1
InChIInChI=1S/C18H16N2OS/c1-13-2-4-14(5-3-13)12-20-18(21)17-7-6-16(22-17)15-8-10-19-11-9-15/h2-11H,12H2,1H3,(H,20,21)
InChIKeyDJCJJJVPNIAXNO-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.05
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide

N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 11536859) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID11536859
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3ccncc3)s2)cc1
InChIInChI=1S/C18H16N2OS/c1-13-2-4-14(5-3-13)12-20-18(21)17-7-6-16(22-17)15-8-10-19-11-9-15/h2-11H,12H2,1H3,(H,20,21)
InChIKeyDJCJJJVPNIAXNO-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11610434
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 38496186
3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide
CID 118716034
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
CID 58968960
N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 162436549
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 11536859) is N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(-c3ccncc3)s2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is DJCJJJVPNIAXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-2-4-14(5-3-13)12-20-18(21)17-7-6-16(22-17)15-8-10-19-11-9-15/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 11536859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).