4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide

C13H20N2O2S — CID 119640021

IUPAC4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc(C(C)=O)cs1
InChIInChI=1S/C13H20N2O2S/c1-4-13(14,5-2)8-15-12(17)11-6-10(7-18-11)9(3)16/h6-7H,4-5,8,14H2,1-3H3,(H,15,17)
InChIKeyMBYQPMZRKPZGDQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.20
Rot. Bonds6

About 4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide

4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide (PubChem CID 119640021) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide
PubChem CID119640021
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc(C(C)=O)cs1
InChIInChI=1S/C13H20N2O2S/c1-4-13(14,5-2)8-15-12(17)11-6-10(7-18-11)9(3)16/h6-7H,4-5,8,14H2,1-3H3,(H,15,17)
InChIKeyMBYQPMZRKPZGDQ-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide (CID 119640021) is 4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide is CCC(N)(CC)CNC(=O)c1cc(C(C)=O)cs1.
What is the InChIKey of 4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide?
The InChIKey is MBYQPMZRKPZGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-13(14,5-2)8-15-12(17)11-6-10(7-18-11)9(3)16/h6-7H,4-5,8,14H2,1-3H3,(H,15,17).
What are the key properties of 4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide?
4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 119640021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).