N-butyl-N-ethylthiophene-2-carboxamide

C11H17NOS — CID 2164665

IUPACN-butyl-N-ethylthiophene-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cccs1
InChIInChI=1S/C11H17NOS/c1-3-5-8-12(4-2)11(13)10-7-6-9-14-10/h6-7,9H,3-5,8H2,1-2H3
InChIKeyWMDRQQOPXUPAGH-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.01
Rot. Bonds5

About N-butyl-N-ethylthiophene-2-carboxamide

N-butyl-N-ethylthiophene-2-carboxamide (PubChem CID 2164665) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-butyl-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethylthiophene-2-carboxamide
PubChem CID2164665
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-butyl-N-ethylthiophene-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cccs1
InChIInChI=1S/C11H17NOS/c1-3-5-8-12(4-2)11(13)10-7-6-9-14-10/h6-7,9H,3-5,8H2,1-2H3
InChIKeyWMDRQQOPXUPAGH-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-butyl-N-ethylthiophene-2-carboxamide (CID 2164665) is N-butyl-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-butyl-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-butyl-N-ethylthiophene-2-carboxamide is CCCCN(CC)C(=O)c1cccs1.
What is the InChIKey of N-butyl-N-ethylthiophene-2-carboxamide?
The InChIKey is WMDRQQOPXUPAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-5-8-12(4-2)11(13)10-7-6-9-14-10/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of N-butyl-N-ethylthiophene-2-carboxamide?
N-butyl-N-ethylthiophene-2-carboxamide has a molecular weight of 211.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 2164665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).