1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide

C26H24N4O4S2 — CID 100801358

About 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide

1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 100801358) has the molecular formula C26H24N4O4S2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide
• PubChem CID: 100801358
• Molecular Formula: C26H24N4O4S2
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.12
• IUPAC Name: 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide
• SMILES: CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3)c2)cs1
• InChI: InChI=1S/C26H24N4O4S2/c1-27-26-29-22(16-35-26)17-9-11-24(34-2)21(15-17)28-25(31)19-8-10-23-18(14-19)12-13-30(23)36(32,33)20-6-4-3-5-7-20/h3-11,14-16H,12-13H2,1-2H3,(H,27,29)(H,28,31)
• InChIKey: JMLSJWWNIRUXOR-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide?

The IUPAC name of 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide (CID 100801358) is 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide is CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3)c2)cs1.

What is the InChIKey of 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide?

The InChIKey is JMLSJWWNIRUXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S2/c1-27-26-29-22(16-35-26)17-9-11-24(34-2)21(15-17)28-25(31)19-8-10-23-18(14-19)12-13-30(23)36(32,33)20-6-4-3-5-7-20/h3-11,14-16H,12-13H2,1-2H3,(H,27,29)(H,28,31).

What are the key properties of 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide?

1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 520.64 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100801358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).