N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide

C20H19NO2S — CID 46083104

IUPACN-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)NCc3ccccc3)s2)cc1
InChIInChI=1S/C20H19NO2S/c1-2-23-17-10-8-16(9-11-17)18-12-13-19(24-18)20(22)21-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,21,22)
InChIKeyNBXXQPYZILJNMO-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.74
Rot. Bonds6

About N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide

N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide (PubChem CID 46083104) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
PubChem CID46083104
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)NCc3ccccc3)s2)cc1
InChIInChI=1S/C20H19NO2S/c1-2-23-17-10-8-16(9-11-17)18-12-13-19(24-18)20(22)21-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,21,22)
InChIKeyNBXXQPYZILJNMO-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46082653
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
CID 58968960
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117090387
2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone
CID 94273700
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide
CID 35140199
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 46083095
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide (CID 46083104) is N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide is CCOc1ccc(-c2ccc(C(=O)NCc3ccccc3)s2)cc1.
What is the InChIKey of N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is NBXXQPYZILJNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-2-23-17-10-8-16(9-11-17)18-12-13-19(24-18)20(22)21-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,21,22).
What are the key properties of N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide?
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46083104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).