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

C13H13NOS — CID 765411

IUPACN-(2-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cccs1
InChIInChI=1S/C13H13NOS/c1-2-10-6-3-4-7-11(10)14-13(15)12-8-5-9-16-12/h3-9H,2H2,1H3,(H,14,15)
InChIKeyLASXMVKOHAACLF-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.56
Rot. Bonds3

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

N-(2-ethylphenyl)thiophene-2-carboxamide (PubChem CID 765411) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(2-ethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)thiophene-2-carboxamide
PubChem CID765411
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC NameN-(2-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cccs1
InChIInChI=1S/C13H13NOS/c1-2-10-6-3-4-7-11(10)14-13(15)12-8-5-9-16-12/h3-9H,2H2,1H3,(H,14,15)
InChIKeyLASXMVKOHAACLF-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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)thiophene-2-carboxamide (CID 765411) is N-(2-ethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)thiophene-2-carboxamide is CCc1ccccc1NC(=O)c1cccs1.
What is the InChIKey of N-(2-ethylphenyl)thiophene-2-carboxamide?
The InChIKey is LASXMVKOHAACLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-2-10-6-3-4-7-11(10)14-13(15)12-8-5-9-16-12/h3-9H,2H2,1H3,(H,14,15).
What are the key properties of N-(2-ethylphenyl)thiophene-2-carboxamide?
N-(2-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-(2-ethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 765411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).