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

C26H23N3O3S2 — CID 100801421

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

(2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 100801421) has the molecular formula C26H23N3O3S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide
• PubChem CID: 100801421
• Molecular Formula: C26H23N3O3S2
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.12
• IUPAC Name: (2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide
• SMILES: Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(=O)(=O)c3ccccc3)c2)cs1
• InChI: InChI=1S/C26H23N3O3S2/c1-17-13-21-14-20(11-12-25(21)29(17)34(31,32)23-9-4-3-5-10-23)26(30)28-22-8-6-7-19(15-22)24-16-33-18(2)27-24/h3-12,14-17H,13H2,1-2H3,(H,28,30)/t17-/m1/s1
• InChIKey: FDHMTPZXTLZMRL-QGZVFWFLSA-N
• XLogP: 5.51
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide (CID 100801421) is (2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide.

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

The canonical SMILES for (2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide is Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(=O)(=O)c3ccccc3)c2)cs1.

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

The InChIKey is FDHMTPZXTLZMRL-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H23N3O3S2/c1-17-13-21-14-20(11-12-25(21)29(17)34(31,32)23-9-4-3-5-10-23)26(30)28-22-8-6-7-19(15-22)24-16-33-18(2)27-24/h3-12,14-17H,13H2,1-2H3,(H,28,30)/t17-/m1/s1.

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

(2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100801421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).