3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide

C28H21N3O3S2 — CID 2447288

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2447288) has the molecular formula C28H21N3O3S2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 2447288
• Molecular Formula: C28H21N3O3S2
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.10
• IUPAC Name: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
• SMILES: O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
• InChI: InChI=1S/C28H21N3O3S2/c32-27(30-28-29-25(18-35-28)22-13-12-19-6-1-2-8-21(19)16-22)23-9-5-10-24(17-23)36(33,34)31-15-14-20-7-3-4-11-26(20)31/h1-13,16-18H,14-15H2,(H,29,30,32)
• InChIKey: VURHKQANJFFGAE-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (CID 2447288) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.

What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?

The InChIKey is VURHKQANJFFGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O3S2/c32-27(30-28-29-25(18-35-28)22-13-12-19-6-1-2-8-21(19)16-22)23-9-5-10-24(17-23)36(33,34)31-15-14-20-7-3-4-11-26(20)31/h1-13,16-18H,14-15H2,(H,29,30,32).

What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 511.63 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2447288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).