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

C19H19N3OS — CID 2461974

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESN#Cc1c(NC(=O)CN2CCCc3ccccc32)sc2c1CCC2
InChIInChI=1S/C19H19N3OS/c20-11-15-14-7-3-9-17(14)24-19(15)21-18(23)12-22-10-4-6-13-5-1-2-8-16(13)22/h1-2,5,8H,3-4,6-7,9-10,12H2,(H,21,23)
InChIKeyZVRQMVMDEVFRKQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.50
Rot. Bonds3

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 2461974) 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-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID2461974
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESN#Cc1c(NC(=O)CN2CCCc3ccccc32)sc2c1CCC2
InChIInChI=1S/C19H19N3OS/c20-11-15-14-7-3-9-17(14)24-19(15)21-18(23)12-22-10-4-6-13-5-1-2-8-16(13)22/h1-2,5,8H,3-4,6-7,9-10,12H2,(H,21,23)
InChIKeyZVRQMVMDEVFRKQ-UHFFFAOYSA-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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2552554
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 46615212
2-(azocan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 8583837
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-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 24589235
[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131732
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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-phenylsulfanylacetamide
CID 2970530
2-(2-chlorophenyl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 2565403
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3-diphenylpropanamide
CID 3650163
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-formylindol-1-yl)acetamide
CID 5158339
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 22195796

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 2461974) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is N#Cc1c(NC(=O)CN2CCCc3ccccc32)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is ZVRQMVMDEVFRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c20-11-15-14-7-3-9-17(14)24-19(15)21-18(23)12-22-10-4-6-13-5-1-2-8-16(13)22/h1-2,5,8H,3-4,6-7,9-10,12H2,(H,21,23).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-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-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 2461974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).