ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C22H20N4O4S3 — CID 2311551

IUPACethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)sc2c1CCC2
InChIInChI=1S/C22H20N4O4S3/c1-2-30-22(27)18-13-7-5-10-16(13)32-21(18)25-19-20(24-15-9-4-3-8-14(15)23-19)26-33(28,29)17-11-6-12-31-17/h3-4,6,8-9,11-12H,2,5,7,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyRHAIOKLUKOTWOG-UHFFFAOYSA-N
MW500.63 g/mol
LogP4.96
Rot. Bonds7

About ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 2311551) has the molecular formula C22H20N4O4S3 and a molecular weight of 500.63 g/mol. Its IUPAC name is ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID2311551
Molecular FormulaC22H20N4O4S3
Molecular Weight500.63 g/mol
Exact Mass500.06
IUPAC Nameethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)sc2c1CCC2
InChIInChI=1S/C22H20N4O4S3/c1-2-30-22(27)18-13-7-5-10-16(13)32-21(18)25-19-20(24-15-9-4-3-8-14(15)23-19)26-33(28,29)17-11-6-12-31-17/h3-4,6,8-9,11-12H,2,5,7,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyRHAIOKLUKOTWOG-UHFFFAOYSA-N
XLogP4.96
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.63
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 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

ethyl 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2319167
ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4249169
ethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 177262103
ethyl 2-[3-(4-methoxyphenyl)sulfonylpropanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 41323826
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1383338
ethyl 2-hydrazinyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 82056534
N-(3-methoxypropyl)-2-(thiophen-2-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 35539936
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1399792
[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23857726
ethyl 2-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 110825638
ethyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 66486008
ethyl 2-(naphthalene-1-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1049875

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 2311551) is ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)sc2c1CCC2.
What is the InChIKey of ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is RHAIOKLUKOTWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S3/c1-2-30-22(27)18-13-7-5-10-16(13)32-21(18)25-19-20(24-15-9-4-3-8-14(15)23-19)26-33(28,29)17-11-6-12-31-17/h3-4,6,8-9,11-12H,2,5,7,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 500.63 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 2311551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).