N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide

C31H34N4O4S — CID 102227339

IUPACN-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide
SMILESCCOC1=NCC[C@]12c1ccccc1N(S(=O)(=O)c1ccc(C)cc1)[C@@H]1Nc3ccccc3[C@@]12CCN(C)C=O
InChIInChI=1S/C31H34N4O4S/c1-4-39-29-31(17-19-32-29)25-10-6-8-12-27(25)35(40(37,38)23-15-13-22(2)14-16-23)28-30(31,18-20-34(3)21-36)24-9-5-7-11-26(24)33-28/h5-16,21,28,33H,4,17-20H2,1-3H3/t28-,30-,31-/m0/s1
InChIKeyAWWAOOPNCNGJQX-ASVWTAOFSA-N
MW558.70 g/mol
LogP4.45
Rot. Bonds7

About N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide

N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide (PubChem CID 102227339) has the molecular formula C31H34N4O4S and a molecular weight of 558.70 g/mol. Its IUPAC name is N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide
PubChem CID102227339
Molecular FormulaC31H34N4O4S
Molecular Weight558.70 g/mol
Exact Mass558.23
IUPAC NameN-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide
SMILESCCOC1=NCC[C@]12c1ccccc1N(S(=O)(=O)c1ccc(C)cc1)[C@@H]1Nc3ccccc3[C@@]12CCN(C)C=O
InChIInChI=1S/C31H34N4O4S/c1-4-39-29-31(17-19-32-29)25-10-6-8-12-27(25)35(40(37,38)23-15-13-22(2)14-16-23)28-30(31,18-20-34(3)21-36)24-9-5-7-11-26(24)33-28/h5-16,21,28,33H,4,17-20H2,1-3H3/t28-,30-,31-/m0/s1
InChIKeyAWWAOOPNCNGJQX-ASVWTAOFSA-N
XLogP4.45
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.70
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide 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

(5aR,10bR,11S)-11-ethenyl-6-(4-methylphenyl)sulfonyl-10b-nitro-5a,11-dihydro-5H-indolo[2,3-b]quinoline
CID 154709295
2-[(4aR,9aS)-9-(4-methylphenyl)sulfonyl-2,3,4,9a-tetrahydro-1H-carbazol-4a-yl]acetonitrile
CID 135034849
(1S,2S,10S,11S)-21,24-dimethyl-3,12-bis-(4-methylphenyl)sulfonyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
CID 177392311
(3aS,8bR)-8b-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 134847216
N-(2-ethoxyphenyl)-2-[(2S)-1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 981741
3-[(1S,4aR,9aS)-1-(aminomethyl)-9-(4-methylphenyl)sulfonyl-2,3,4,9a-tetrahydro-1H-carbazol-4a-yl]propan-1-amine
CID 177465298
(8bR)-3-(4-methylphenyl)sulfonyl-8b-[(1S)-1-phenylprop-2-enyl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 138973173
(1R,9R)-17-ethyl-8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 6602036
N-[(E)-2-[(3R)-3-[(1R,3aS)-1-[(3aS,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-2,3a,4,8b-tetrahydro-1H-pyrrolo[2,3-b]indol-5-yl]-1-methyl-2-oxoindol-3-yl]ethenyl]-N,4-dimethylbenzenesulfonamide
CID 135003143
methyl 2-[(4aR,9aS)-2,3-dimethyl-9-(4-methylphenyl)sulfonyl-4,9a-dihydro-1H-carbazol-4a-yl]-2-oxoacetate
CID 10950243
ethyl (4S,4aS,9aR)-2-acetyloxy-9-(4-methylphenyl)sulfonyl-4a-nitro-4-phenyl-4,9a-dihydro-3H-carbazole-1-carboxylate
CID 139050695
N-[(4R,4aS,9aS)-9-(4-methylphenyl)sulfonyl-4a-nitro-4,9a-dihydro-1H-carbazol-4-yl]-N-propylacetamide
CID 10695655

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide?
The IUPAC name of N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide (CID 102227339) is N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide.
What is the SMILES notation for N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide?
The canonical SMILES for N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide is CCOC1=NCC[C@]12c1ccccc1N(S(=O)(=O)c1ccc(C)cc1)[C@@H]1Nc3ccccc3[C@@]12CCN(C)C=O.
What is the InChIKey of N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide?
The InChIKey is AWWAOOPNCNGJQX-ASVWTAOFSA-N. The full InChI is InChI=1S/C31H34N4O4S/c1-4-39-29-31(17-19-32-29)25-10-6-8-12-27(25)35(40(37,38)23-15-13-22(2)14-16-23)28-30(31,18-20-34(3)21-36)24-9-5-7-11-26(24)33-28/h5-16,21,28,33H,4,17-20H2,1-3H3/t28-,30-,31-/m0/s1.
What are the key properties of N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide?
N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide has a molecular weight of 558.70 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R,5'aS,10'bR)-5-ethoxy-5'-(4-methylphenyl)sulfonylspiro[2,3-dihydropyrrole-4,11'-5a,6-dihydroindolo[2,3-b]quinoline]-10'b-yl]ethyl]-N-methylformamide is sourced from PubChem (CID 102227339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).