N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide

C22H25N5O6S2 — CID 10142705

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 10142705) has the molecular formula C22H25N5O6S2 and a molecular weight of 519.61 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide
• PubChem CID: 10142705
• Molecular Formula: C22H25N5O6S2
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.12
• IUPAC Name: N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide
• SMILES: O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
• InChI: InChI=1S/C22H25N5O6S2/c28-21(14-16-2-5-18(6-3-16)35(31,32)26-9-11-33-12-10-26)23-22-19-15-17(4-7-20(19)24-25-22)27-8-1-13-34(27,29)30/h2-7,15H,1,8-14H2,(H2,23,24,25,28)
• InChIKey: QVMHUHNRIORMTE-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 141.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide?

The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 10142705) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide.

What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide?

The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12.

What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide?

The InChIKey is QVMHUHNRIORMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O6S2/c28-21(14-16-2-5-18(6-3-16)35(31,32)26-9-11-33-12-10-26)23-22-19-15-17(4-7-20(19)24-25-22)27-8-1-13-34(27,29)30/h2-7,15H,1,8-14H2,(H2,23,24,25,28).

What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide?

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 519.61 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 10142705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).