N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide

C26H25N3O3S2 — CID 2498617

About N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide

N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide (PubChem CID 2498617) has the molecular formula C26H25N3O3S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide
• PubChem CID: 2498617
• Molecular Formula: C26H25N3O3S2
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.13
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide
• SMILES: CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1nc2ccccc2s1
• InChI: InChI=1S/C26H25N3O3S2/c1-18(2)17-28(26-27-22-11-4-6-13-24(22)33-26)25(30)20-9-7-10-21(16-20)34(31,32)29-15-14-19-8-3-5-12-23(19)29/h3-13,16,18H,14-15,17H2,1-2H3
• InChIKey: KBJJFWLQIZLBTG-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 70.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide?

The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide (CID 2498617) is N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide?

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1nc2ccccc2s1.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide?

The InChIKey is KBJJFWLQIZLBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S2/c1-18(2)17-28(26-27-22-11-4-6-13-24(22)33-26)25(30)20-9-7-10-21(16-20)34(31,32)29-15-14-19-8-3-5-12-23(19)29/h3-13,16,18H,14-15,17H2,1-2H3.

What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide?

N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide has a molecular weight of 491.64 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 2498617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).