4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C24H21N3O3S2 — CID 2147588

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1
InChIInChI=1S/C24H21N3O3S2/c1-16-8-13-20-22(15-16)31-24(25-20)26-23(28)18-9-11-19(12-10-18)32(29,30)27-14-4-6-17-5-2-3-7-21(17)27/h2-3,5,7-13,15H,4,6,14H2,1H3,(H,25,26,28)
InChIKeyIAOLSOGPLAFUJY-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.00
Rot. Bonds4

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2147588) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID2147588
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1
InChIInChI=1S/C24H21N3O3S2/c1-16-8-13-20-22(15-16)31-24(25-20)26-23(28)18-9-11-19(12-10-18)32(29,30)27-14-4-6-17-5-2-3-7-21(17)27/h2-3,5,7-13,15H,4,6,14H2,1H3,(H,25,26,28)
InChIKeyIAOLSOGPLAFUJY-UHFFFAOYSA-N
XLogP5.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide with MolForge

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Related Compounds

N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N'-(4-methylbenzo[d]thiazol-2-yl)benzohydrazide
CID 15944723
N-[6-(piperidin-1-ylcarbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 1160385
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3242369
N-(6-Methyl-1,3-benzothiazol-2-YL)-4-(thiophene-2-sulfonamido)benzamide
CID 12004426
N-(Benzo[d]thiazol-2-yl)-5-(N,N-dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzamide
CID 2529879
4-(indolin-1-ylsulfonyl)-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 4159447
(4-(Benzo[d]thiazol-2-yl)piperazin-1-yl)(2-(ethylsulfonyl)phenyl)methanone
CID 7295167
2-(3-Methyl-ureido)-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634174
2-Isobutyrylamino-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634175
2-(3-Butyl-ureido)-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634424
2-Acetylamino-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634439

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 2147588) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is IAOLSOGPLAFUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-16-8-13-20-22(15-16)31-24(25-20)26-23(28)18-9-11-19(12-10-18)32(29,30)27-14-4-6-17-5-2-3-7-21(17)27/h2-3,5,7-13,15H,4,6,14H2,1H3,(H,25,26,28).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 463.58 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2147588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).