4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide

C15H21N3O2S — CID 10402972

IUPAC4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide
SMILESCCC(CC)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N
InChIInChI=1S/C15H21N3O2S/c1-6-10(7-2)13(19)17-14-11(8-16)9(3)12(21-14)15(20)18(4)5/h10H,6-7H2,1-5H3,(H,17,19)
InChIKeyPGTMIKUDRDGJJR-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.00
Rot. Bonds5

About 4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide

4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide (PubChem CID 10402972) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide
PubChem CID10402972
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide
SMILESCCC(CC)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N
InChIInChI=1S/C15H21N3O2S/c1-6-10(7-2)13(19)17-14-11(8-16)9(3)12(21-14)15(20)18(4)5/h10H,6-7H2,1-5H3,(H,17,19)
InChIKeyPGTMIKUDRDGJJR-UHFFFAOYSA-N
XLogP3.00
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-cyano-5-(2-ethylhexanoylamino)-3-methylthiophene-2-carboxylate
CID 4527062
N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide
CID 4609681
4-[4-cyano-5-(2-ethylbutanoylamino)-3-methylthiophen-2-yl]piperazine-1-carboxylic acid
CID 67483366
N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575444
4-cyano-N,N-diethyl-3-methyl-5-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-2-carboxamide
CID 4675086
5-[(5-chlorothiophene-2-carbonyl)amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 5107734
propan-2-yl 5-(diethylcarbamoyl)-2-(2-ethylbutanoylamino)-4-methylthiophene-3-carboxylate
CID 5093414
N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-methylfuran-3-carboxamide
CID 3559996
4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide
CID 1040259
N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide
CID 10039886
5-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 1221070
(2S,3S)-2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylpentanamide
CID 61254808

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide?
The IUPAC name of 4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide (CID 10402972) is 4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide?
The canonical SMILES for 4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide is CCC(CC)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N.
What is the InChIKey of 4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide?
The InChIKey is PGTMIKUDRDGJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-6-10(7-2)13(19)17-14-11(8-16)9(3)12(21-14)15(20)18(4)5/h10H,6-7H2,1-5H3,(H,17,19).
What are the key properties of 4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide?
4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 10402972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).