N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide

C16H22N2OS — CID 10039886

IUPACN-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1sc2c(c1C#N)C(C)CC2C
InChIInChI=1S/C16H22N2OS/c1-5-11(6-2)15(19)18-16-12(8-17)13-9(3)7-10(4)14(13)20-16/h9-11H,5-7H2,1-4H3,(H,18,19)
InChIKeyIOYJNZCLRGVPEZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.61
Rot. Bonds4

About N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide

N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide (PubChem CID 10039886) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide
PubChem CID10039886
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1sc2c(c1C#N)C(C)CC2C
InChIInChI=1S/C16H22N2OS/c1-5-11(6-2)15(19)18-16-12(8-17)13-9(3)7-10(4)14(13)20-16/h9-11H,5-7H2,1-4H3,(H,18,19)
InChIKeyIOYJNZCLRGVPEZ-UHFFFAOYSA-N
XLogP4.61
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide with MolForge

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Related Compounds

4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide
CID 10402972
4-[4-cyano-5-(2-ethylbutanoylamino)-3-methylthiophen-2-yl]piperazine-1-carboxylic acid
CID 67483366
2-(aminomethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)butanamide
CID 65229188
N-[3-cyano-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide
CID 58962825
tert-butyl 4-[4-cyano-5-(2-ethylbutanoylamino)-3-methylthiophen-2-yl]piperazine-1-carboxylate
CID 10432291
ethyl 4-cyano-5-(2-ethylhexanoylamino)-3-methylthiophene-2-carboxylate
CID 4527062
2-benzyl-N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylpropanamide
CID 51389710
N-[6-[1-(4-bromophenyl)ethylamino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide
CID 10480018
N-(3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 3778889
(2S,3S)-2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylpentanamide
CID 61254808
4-tert-butyl-N-(3-cyano-5,5,7-trimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)benzamide
CID 4565677
(2S)-2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-cyclopropylpropanamide
CID 112735307

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide?
The IUPAC name of N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide (CID 10039886) is N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide?
The canonical SMILES for N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1sc2c(c1C#N)C(C)CC2C.
What is the InChIKey of N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide?
The InChIKey is IOYJNZCLRGVPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-11(6-2)15(19)18-16-12(8-17)13-9(3)7-10(4)14(13)20-16/h9-11H,5-7H2,1-4H3,(H,18,19).
What are the key properties of N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide?
N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide has a molecular weight of 290.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,6-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 10039886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).