4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

C24H21N3O3S2 — CID 4551068

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)sc2c1
InChIInChI=1S/C24H21N3O3S2/c1-15-13-16(2)22-21(14-15)31-24(25-22)26-23(28)18-7-9-19(10-8-18)32(29,30)27-12-11-17-5-3-4-6-20(17)27/h3-10,13-14H,11-12H2,1-2H3,(H,25,26,28)
InChIKeyCFXYTODQNPVPAZ-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.92
Rot. Bonds4

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 4551068) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID4551068
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)sc2c1
InChIInChI=1S/C24H21N3O3S2/c1-15-13-16(2)22-21(14-15)31-24(25-22)26-23(28)18-7-9-19(10-8-18)32(29,30)27-12-11-17-5-3-4-6-20(17)27/h3-10,13-14H,11-12H2,1-2H3,(H,25,26,28)
InChIKeyCFXYTODQNPVPAZ-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 4551068) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc(C)c2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)sc2c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is CFXYTODQNPVPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-15-13-16(2)22-21(14-15)31-24(25-22)26-23(28)18-7-9-19(10-8-18)32(29,30)27-12-11-17-5-3-4-6-20(17)27/h3-10,13-14H,11-12H2,1-2H3,(H,25,26,28).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 463.58 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4551068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).