2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

C24H17Cl2N3O2S2 — CID 23989309

About 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide (PubChem CID 23989309) has the molecular formula C24H17Cl2N3O2S2 and a molecular weight of 514.46 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
• PubChem CID: 23989309
• Molecular Formula: C24H17Cl2N3O2S2
• Molecular Weight: 514.46 g/mol
• Exact Mass: 513.01
• IUPAC Name: 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
• SMILES: O=C(Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C24H17Cl2N3O2S2/c25-15-5-7-17(18(26)11-15)23(31)27-16-6-8-19-21(12-16)33-24(28-19)32-13-22(30)29-10-9-14-3-1-2-4-20(14)29/h1-8,11-12H,9-10,13H2,(H,27,31)
• InChIKey: RNLWWPHRQLLSLR-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.46
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide?

The IUPAC name of 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide (CID 23989309) is 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide is O=C(Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1)c1ccc(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide?

The InChIKey is RNLWWPHRQLLSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O2S2/c25-15-5-7-17(18(26)11-15)23(31)27-16-6-8-19-21(12-16)33-24(28-19)32-13-22(30)29-10-9-14-3-1-2-4-20(14)29/h1-8,11-12H,9-10,13H2,(H,27,31).

What are the key properties of 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide?

2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide has a molecular weight of 514.46 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide is sourced from PubChem (CID 23989309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).