N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C21H20N2O3S2 — CID 71886944

IUPACN-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CC2
InChIInChI=1S/C21H20N2O3S2/c1-28(25,26)12-10-22-21(24)19-16-6-2-3-7-18(16)23-20-14(8-9-17(19)20)13-15-5-4-11-27-15/h2-7,11,13H,8-10,12H2,1H3,(H,22,24)
InChIKeyXIDJSPOWPIYPAJ-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.56
Rot. Bonds5

About N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 71886944) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID71886944
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC NameN-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CC2
InChIInChI=1S/C21H20N2O3S2/c1-28(25,26)12-10-22-21(24)19-16-6-2-3-7-18(16)23-20-14(8-9-17(19)20)13-15-5-4-11-27-15/h2-7,11,13H,8-10,12H2,1H3,(H,22,24)
InChIKeyXIDJSPOWPIYPAJ-UHFFFAOYSA-N
XLogP3.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(3-phenylpropylamino)ethyl] 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3898319
N-[[1-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781255
naphthalen-1-ylmethyl 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 4619663
(4-phenylpiperazin-1-yl)-[(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone
CID 55555498
[2-oxo-2-(propylamino)ethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 6063072
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 26918338
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 40786351
[2-(ethylamino)-2-oxoethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4570503
(3Z)-3-[(2-chlorophenyl)methylidene]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide;2,2,2-trifluoroacetic acid
CID 166199104
[4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone
CID 55901268
(2-chloro-6-fluorophenyl)methyl 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3670685
[2-(1H-indol-3-yl)-2-oxoethyl] (3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 98409433

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 71886944) is N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is CS(=O)(=O)CCNC(=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CC2.
What is the InChIKey of N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is XIDJSPOWPIYPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-28(25,26)12-10-22-21(24)19-16-6-2-3-7-18(16)23-20-14(8-9-17(19)20)13-15-5-4-11-27-15/h2-7,11,13H,8-10,12H2,1H3,(H,22,24).
What are the key properties of N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 71886944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).