2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide

C15H24N2O2S — CID 4195204

IUPAC2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide
SMILESCCCCC(CC)C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C15H24N2O2S/c1-5-7-8-11(6-2)14(19)17-15-12(13(16)18)9(3)10(4)20-15/h11H,5-8H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyZNJUPLNELZKOPX-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.62
Rot. Bonds7

About 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide

2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide (PubChem CID 4195204) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide
PubChem CID4195204
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide
SMILESCCCCC(CC)C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C15H24N2O2S/c1-5-7-8-11(6-2)14(19)17-15-12(13(16)18)9(3)10(4)20-15/h11H,5-8H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyZNJUPLNELZKOPX-UHFFFAOYSA-N
XLogP3.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4583050
methyl 4-ethyl-2-(2-ethylhexanoylamino)-5-methylthiophene-3-carboxylate
CID 4190040
ethyl 5-(diethylcarbamoyl)-2-(2-ethylhexanoylamino)-4-methylthiophene-3-carboxylate
CID 4054403
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
ethyl 4-cyano-5-(2-ethylhexanoylamino)-3-methylthiophene-2-carboxylate
CID 4527062
4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide
CID 4950022
2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxamide
CID 46305614
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide
CID 40537911
5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate
CID 7741576
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
CID 2914170
(2S)-2-ethylhexanehydrazide
CID 40549650
methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate
CID 82316919

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide (CID 4195204) is 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide is CCCCC(CC)C(=O)Nc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is ZNJUPLNELZKOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-7-8-11(6-2)14(19)17-15-12(13(16)18)9(3)10(4)20-15/h11H,5-8H2,1-4H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide?
2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 4195204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).