2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C27H25N3O4S2 — CID 100796756

About 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 100796756) has the molecular formula C27H25N3O4S2 and a molecular weight of 519.65 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
• PubChem CID: 100796756
• Molecular Formula: C27H25N3O4S2
• Molecular Weight: 519.65 g/mol
• Exact Mass: 519.13
• IUPAC Name: 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
• SMILES: Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3C)c2)cs1
• InChI: InChI=1S/C27H25N3O4S2/c1-18-14-23(36(32,33)30-13-12-20-6-3-4-9-25(20)30)10-11-26(18)34-16-27(31)29-22-8-5-7-21(15-22)24-17-35-19(2)28-24/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,29,31)
• InChIKey: HQUPPLFPXVBUNR-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.65
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

The IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 100796756) is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

What is the SMILES notation for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

The canonical SMILES for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3C)c2)cs1.

What is the InChIKey of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

The InChIKey is HQUPPLFPXVBUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S2/c1-18-14-23(36(32,33)30-13-12-20-6-3-4-9-25(20)30)10-11-26(18)34-16-27(31)29-22-8-5-7-21(15-22)24-17-35-19(2)28-24/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,29,31).

What are the key properties of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 519.65 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 100796756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).