4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H22N4O3S2 — CID 59465676

IUPAC4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cccc2c1N([C@H]1CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C1=O)CC2
InChIInChI=1S/C22H22N4O3S2/c1-15-3-2-4-16-9-12-26(20(15)16)19-10-13-25(21(19)27)17-5-7-18(8-6-17)31(28,29)24-22-23-11-14-30-22/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyFAIGAIOOFDNVGL-IBGZPJMESA-N
MW454.58 g/mol
LogP3.42
Rot. Bonds5

About 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59465676) has the molecular formula C22H22N4O3S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID59465676
Molecular FormulaC22H22N4O3S2
Molecular Weight454.58 g/mol
Exact Mass454.11
IUPAC Name4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cccc2c1N([C@H]1CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C1=O)CC2
InChIInChI=1S/C22H22N4O3S2/c1-15-3-2-4-16-9-12-26(20(15)16)19-10-13-25(21(19)27)17-5-7-18(8-6-17)31(28,29)24-22-23-11-14-30-22/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyFAIGAIOOFDNVGL-IBGZPJMESA-N
XLogP3.42
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide 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

3-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 5817814
1-(4-methylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2963171
3-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butan-2-yl]benzamide
CID 4355749
3-acetamido-3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 16320453
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 24982574
1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 155527234
4-[(3R,3'S)-3-(3,5-Dichlorophenyl)-2'-oxo-1,3'-bipyrrolidin-1'-yl]-N-(thiazol-2-yl)benzenesulfonamide
CID 44603427
2-(2-oxobenzo[cd]indol-1(2H)-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1306809
1-(4-Ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid [4-(thiazol-2-ylsulfamoyl)-phenyl]-amide
CID 6497561
1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 6497644
N-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-1,3-thiazol-2-ylphenylalaninamide
CID 9551478
4-[(2-oxoindol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 135451596

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59465676) is 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cccc2c1N([C@H]1CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C1=O)CC2.
What is the InChIKey of 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FAIGAIOOFDNVGL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N4O3S2/c1-15-3-2-4-16-9-12-26(20(15)16)19-10-13-25(21(19)27)17-5-7-18(8-6-17)31(28,29)24-22-23-11-14-30-22/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 454.58 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(7-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59465676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).