2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide

C13H20N2O2S — CID 35523946

IUPAC2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(N)=O)c(NC(=O)CC(C)(C)C)s1
InChIInChI=1S/C13H20N2O2S/c1-5-8-6-9(11(14)17)12(18-8)15-10(16)7-13(2,3)4/h6H,5,7H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyNJDQPLKCASSBMH-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.78
Rot. Bonds4

About 2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide

2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide (PubChem CID 35523946) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide
PubChem CID35523946
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(N)=O)c(NC(=O)CC(C)(C)C)s1
InChIInChI=1S/C13H20N2O2S/c1-5-8-6-9(11(14)17)12(18-8)15-10(16)7-13(2,3)4/h6H,5,7H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyNJDQPLKCASSBMH-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63615629
methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate
CID 82316828
2-(carbamoylamino)-5-propylthiophene-3-carboxamide
CID 91098871
2-acetamido-5-propylthiophene-3-carboxamide
CID 1246587
N-(3-carbamoyl-5-ethylthiophen-2-yl)pyrazine-2-carboxamide
CID 35523827
5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
CID 35277399
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
5-[[3-(4-chlorobenzoyl)-5-ethylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;ethane
CID 143691538
2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-5-ethylthiophene-3-carboxylic acid
CID 63614494
5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 28865516
ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 63680722

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide?
The IUPAC name of 2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide (CID 35523946) is 2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide.
What is the SMILES notation for 2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide?
The canonical SMILES for 2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide is CCc1cc(C(N)=O)c(NC(=O)CC(C)(C)C)s1.
What is the InChIKey of 2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide?
The InChIKey is NJDQPLKCASSBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-5-8-6-9(11(14)17)12(18-8)15-10(16)7-13(2,3)4/h6H,5,7H2,1-4H3,(H2,14,17)(H,15,16).
What are the key properties of 2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide?
2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide is sourced from PubChem (CID 35523946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).