N-(4-ethylphenyl)thiophene-2-carboxamide

C13H13NOS — CID 668782

IUPACN-(4-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H13NOS/c1-2-10-5-7-11(8-6-10)14-13(15)12-4-3-9-16-12/h3-9H,2H2,1H3,(H,14,15)
InChIKeyVGVHJESBFMWXJF-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.56
Rot. Bonds3

About N-(4-ethylphenyl)thiophene-2-carboxamide

N-(4-ethylphenyl)thiophene-2-carboxamide (PubChem CID 668782) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)thiophene-2-carboxamide
PubChem CID668782
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC NameN-(4-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H13NOS/c1-2-10-5-7-11(8-6-10)14-13(15)12-4-3-9-16-12/h3-9H,2H2,1H3,(H,14,15)
InChIKeyVGVHJESBFMWXJF-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)thiophene-2-carboxamide
CID 736373
N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
HDAC inhibitor, Compound 1
CID 6918878
N-(2-methylphenyl)-2-(2-thienyl)acetamide
CID 670140
N-phenyl-2-(2-thienyl)acetamide
CID 779609
N-(2,4-Difluorophenyl)-2-thiophenecarboxamide
CID 762625
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
N-(4-Fluorophenyl)-2-thiophenecarboxamide
CID 531923
3-(4-Methylanilino)-1-thiophen-2-ylpropan-1-one
CID 877310
N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide
CID 782642
N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)thiophene-2-carboxamide (CID 668782) is N-(4-ethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)thiophene-2-carboxamide is CCc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-ethylphenyl)thiophene-2-carboxamide?
The InChIKey is VGVHJESBFMWXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-2-10-5-7-11(8-6-10)14-13(15)12-4-3-9-16-12/h3-9H,2H2,1H3,(H,14,15).
What are the key properties of N-(4-ethylphenyl)thiophene-2-carboxamide?
N-(4-ethylphenyl)thiophene-2-carboxamide has a molecular weight of 231.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 668782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).