1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

C22H21N3O4S2 — CID 170593248

About 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170593248) has the molecular formula C22H21N3O4S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 170593248
• Molecular Formula: C22H21N3O4S2
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.10
• IUPAC Name: 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• SMILES: COc1nc(-c2ccc3c(c2)CC(C(=O)N2CCc4ccc(S(N)(=O)=O)cc42)C3)cs1
• InChI: InChI=1S/C22H21N3O4S2/c1-29-22-24-19(12-30-22)15-3-2-14-8-17(10-16(14)9-15)21(26)25-7-6-13-4-5-18(11-20(13)25)31(23,27)28/h2-5,9,11-12,17H,6-8,10H2,1H3,(H2,23,27,28)
• InChIKey: LENGVPRQZGCTLS-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 102.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The IUPAC name of 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170593248) is 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

What is the SMILES notation for 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The canonical SMILES for 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is COc1nc(-c2ccc3c(c2)CC(C(=O)N2CCc4ccc(S(N)(=O)=O)cc42)C3)cs1.

What is the InChIKey of 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The InChIKey is LENGVPRQZGCTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S2/c1-29-22-24-19(12-30-22)15-3-2-14-8-17(10-16(14)9-15)21(26)25-7-6-13-4-5-18(11-20(13)25)31(23,27)28/h2-5,9,11-12,17H,6-8,10H2,1H3,(H2,23,27,28).

What are the key properties of 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 455.56 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-methoxy-1,3-thiazol-4-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170593248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).