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

C24H20Cl2N4O4S2 — CID 4249169

IUPACethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2
InChIInChI=1S/C24H20Cl2N4O4S2/c1-2-34-24(31)20-14-6-5-9-18(14)35-23(20)29-21-22(28-17-8-4-3-7-16(17)27-21)30-36(32,33)19-12-13(25)10-11-15(19)26/h3-4,7-8,10-12H,2,5-6,9H2,1H3,(H,27,29)(H,28,30)
InChIKeyVDPAZFCEXHBPNC-UHFFFAOYSA-N
MW563.49 g/mol
LogP6.21
Rot. Bonds7

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

ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 4249169) has the molecular formula C24H20Cl2N4O4S2 and a molecular weight of 563.49 g/mol. Its IUPAC name is ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID4249169
Molecular FormulaC24H20Cl2N4O4S2
Molecular Weight563.49 g/mol
Exact Mass562.03
IUPAC Nameethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2
InChIInChI=1S/C24H20Cl2N4O4S2/c1-2-34-24(31)20-14-6-5-9-18(14)35-23(20)29-21-22(28-17-8-4-3-7-16(17)27-21)30-36(32,33)19-12-13(25)10-11-15(19)26/h3-4,7-8,10-12H,2,5-6,9H2,1H3,(H,27,29)(H,28,30)
InChIKeyVDPAZFCEXHBPNC-UHFFFAOYSA-N
XLogP6.21
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.49
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate with MolForge

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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-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2311551
ethyl 2-[[4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 126415584
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 19579229
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1107603
ethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 177262103
ethyl 2-[(2,3,6-trichlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19171025
ethyl 2-[(3-chlorophenyl)carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1226611
ethyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 66486008
ethyl 2-[[2-(2-chloro-4-fluoroanilino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2109054
ethyl 2-[(3,4-dimethylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 708969
ethyl 2-[3-(2,4-dichlorophenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 100606539

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 4249169) is ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2.
What is the InChIKey of ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is VDPAZFCEXHBPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O4S2/c1-2-34-24(31)20-14-6-5-9-18(14)35-23(20)29-21-22(28-17-8-4-3-7-16(17)27-21)30-36(32,33)19-12-13(25)10-11-15(19)26/h3-4,7-8,10-12H,2,5-6,9H2,1H3,(H,27,29)(H,28,30).
What are the key properties of ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 563.49 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[(2,5-dichlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 4249169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).