N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide

C19H19N3OS — CID 2552554

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H]1Cc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C19H19N3OS/c1-12-9-13-5-2-3-7-16(13)22(12)11-18(23)21-19-15(10-20)14-6-4-8-17(14)24-19/h2-3,5,7,12H,4,6,8-9,11H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyBBEMVEIKRJPHHO-GFCCVEGCSA-N
MW337.45 g/mol
LogP3.50
Rot. Bonds3

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 2552554) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID2552554
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H]1Cc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C19H19N3OS/c1-12-9-13-5-2-3-7-16(13)22(12)11-18(23)21-19-15(10-20)14-6-4-8-17(14)24-19/h2-3,5,7,12H,4,6,8-9,11H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyBBEMVEIKRJPHHO-GFCCVEGCSA-N
XLogP3.50
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 22200036
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2652917
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2461974
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 78832981
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 3255202
2-(4-acetylpiperazin-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 2697586
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4963289
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-phenylpropanamide
CID 759528
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9451044
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 57402730
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-phenylsulfanylacetamide
CID 2970530
2-(azocan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 8583837

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide (CID 2552554) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide is C[C@@H]1Cc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is BBEMVEIKRJPHHO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-9-13-5-2-3-7-16(13)22(12)11-18(23)21-19-15(10-20)14-6-4-8-17(14)24-19/h2-3,5,7,12H,4,6,8-9,11H2,1H3,(H,21,23)/t12-/m1/s1.
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 337.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 2552554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).