N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide

C19H18N2OS — CID 11616767

IUPACN-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCc1cccc(CCNC(=O)c2ccc(-c3ccncc3)s2)c1
InChIInChI=1S/C19H18N2OS/c1-14-3-2-4-15(13-14)7-12-21-19(22)18-6-5-17(23-18)16-8-10-20-11-9-16/h2-6,8-11,13H,7,12H2,1H3,(H,21,22)
InChIKeyYEARVZRDAHCEKE-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.09
Rot. Bonds5

About N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide

N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 11616767) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID11616767
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCc1cccc(CCNC(=O)c2ccc(-c3ccncc3)s2)c1
InChIInChI=1S/C19H18N2OS/c1-14-3-2-4-15(13-14)7-12-21-19(22)18-6-5-17(23-18)16-8-10-20-11-9-16/h2-6,8-11,13H,7,12H2,1H3,(H,21,22)
InChIKeyYEARVZRDAHCEKE-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11610434
5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 24661243
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
CID 117089481
6-amino-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054
N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619618
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
8-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 20865578
4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
CID 59856937

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 11616767) is N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide is Cc1cccc(CCNC(=O)c2ccc(-c3ccncc3)s2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is YEARVZRDAHCEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-3-2-4-15(13-14)7-12-21-19(22)18-6-5-17(23-18)16-8-10-20-11-9-16/h2-6,8-11,13H,7,12H2,1H3,(H,21,22).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 11616767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).