5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide

C15H21N3OS — CID 869161

IUPAC5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCN(C(=O)c1sc(N)c(C#N)c1C)C1CCCCC1
InChIInChI=1S/C15H21N3OS/c1-3-18(11-7-5-4-6-8-11)15(19)13-10(2)12(9-16)14(17)20-13/h11H,3-8,17H2,1-2H3
InChIKeyFIXCYLAWEYEBRW-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.31
Rot. Bonds3

About 5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide

5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide (PubChem CID 869161) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide
PubChem CID869161
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCN(C(=O)c1sc(N)c(C#N)c1C)C1CCCCC1
InChIInChI=1S/C15H21N3OS/c1-3-18(11-7-5-4-6-8-11)15(19)13-10(2)12(9-16)14(17)20-13/h11H,3-8,17H2,1-2H3
InChIKeyFIXCYLAWEYEBRW-UHFFFAOYSA-N
XLogP3.31
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide
CID 757553
5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 673648
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-isobutyramide
CID 654813
N-[5-(N,N-diethylcarbamoyl)-3-cyano-4-methyl(2-thienyl)]-2-methylpropanamide
CID 829009
2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile
CID 685920
N-[3-cyano-4-methyl-5-(piperidylcarbonyl)(2-thienyl)]cyclopropylcarboxamide
CID 650633
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-propionamide
CID 655573
1-(5-Amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 743993
5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide
CID 64975329
5-amino-N-benzyl-4-cyano-3-methylthiophene-2-carboxamide
CID 172654061
4-cyano-N,N-diethyl-3-methyl-5-[(trifluoroacetyl)amino]thiophene-2-carboxamide
CID 3294410
4-cyano-N,N-diethyl-3-methyl-5-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)thiophene-2-carboxamide
CID 3478242

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide (CID 869161) is 5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide is CCN(C(=O)c1sc(N)c(C#N)c1C)C1CCCCC1.
What is the InChIKey of 5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide?
The InChIKey is FIXCYLAWEYEBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-18(11-7-5-4-6-8-11)15(19)13-10(2)12(9-16)14(17)20-13/h11H,3-8,17H2,1-2H3.
What are the key properties of 5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide?
5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 869161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).