3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide

C13H21NOS — CID 49365464

IUPAC3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide
SMILESCCCC(C)(C)NC(=O)c1sccc1CC
InChIInChI=1S/C13H21NOS/c1-5-8-13(3,4)14-12(15)11-10(6-2)7-9-16-11/h7,9H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyWDSWGWMDOREYRP-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.62
Rot. Bonds5

About 3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide

3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide (PubChem CID 49365464) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide
PubChem CID49365464
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide
SMILESCCCC(C)(C)NC(=O)c1sccc1CC
InChIInChI=1S/C13H21NOS/c1-5-8-13(3,4)14-12(15)11-10(6-2)7-9-16-11/h7,9H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyWDSWGWMDOREYRP-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide (CID 49365464) is 3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide is CCCC(C)(C)NC(=O)c1sccc1CC.
What is the InChIKey of 3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide?
The InChIKey is WDSWGWMDOREYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-5-8-13(3,4)14-12(15)11-10(6-2)7-9-16-11/h7,9H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of 3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide?
3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide has a molecular weight of 239.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methylpentan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 49365464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).