2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide

C13H19N3OS — CID 79812801

IUPAC2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C13H19N3OS/c1-5-13(15,6-2)12(17)16-11-10(7-14)8(3)9(4)18-11/h5-6,15H2,1-4H3,(H,16,17)
InChIKeyYSWRPYQOPRQIOZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide

2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide (PubChem CID 79812801) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide
PubChem CID79812801
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C13H19N3OS/c1-5-13(15,6-2)12(17)16-11-10(7-14)8(3)9(4)18-11/h5-6,15H2,1-4H3,(H,16,17)
InChIKeyYSWRPYQOPRQIOZ-UHFFFAOYSA-N
XLogP2.69
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpentanamide
CID 61254032
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,2,2-trifluoroacetamide
CID 903532
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide
CID 55122081
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823
N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide
CID 4289593
(2S,3S)-2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylpentanamide
CID 61254808
ethyl 4-cyano-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 731725
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylbut-2-enamide
CID 30659767
1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide
CID 65464284
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631857

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide (CID 79812801) is 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide?
The InChIKey is YSWRPYQOPRQIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-5-13(15,6-2)12(17)16-11-10(7-14)8(3)9(4)18-11/h5-6,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide?
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide has a molecular weight of 265.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 79812801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).