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

C20H20N2O2S — CID 11638903

IUPACN-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(-c3ccncc3)s2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-24-17-5-3-15(4-6-17)9-14-22-20(23)19-8-7-18(25-19)16-10-12-21-13-11-16/h3-8,10-13H,2,9,14H2,1H3,(H,22,23)
InChIKeyONMNVQFYJSDTSK-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.18
Rot. Bonds7

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

N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 11638903) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID11638903
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(-c3ccncc3)s2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-24-17-5-3-15(4-6-17)9-14-22-20(23)19-8-7-18(25-19)16-10-12-21-13-11-16/h3-8,10-13H,2,9,14H2,1H3,(H,22,23)
InChIKeyONMNVQFYJSDTSK-UHFFFAOYSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 53001941
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
CID 117089481
N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide
CID 117088911
4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
CID 59856937
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide
CID 117087857
5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 24661243
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 11638903) is N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide is CCOc1ccc(CCNC(=O)c2ccc(-c3ccncc3)s2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is ONMNVQFYJSDTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-2-24-17-5-3-15(4-6-17)9-14-22-20(23)19-8-7-18(25-19)16-10-12-21-13-11-16/h3-8,10-13H,2,9,14H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 11638903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).