2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide

C22H27N5O4S — CID 164573674

About 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide

2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide (PubChem CID 164573674) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
• PubChem CID: 164573674
• Molecular Formula: C22H27N5O4S
• Molecular Weight: 457.56 g/mol
• Exact Mass: 457.18
• IUPAC Name: 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
• SMILES: Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)c(C)c2)c2[nH]ncc2c1
• InChI: InChI=1S/C22H27N5O4S/c1-15-10-17-13-23-25-22(17)20(11-15)32(29,30)26(3)14-21(28)24-18-4-5-19(16(2)12-18)27-6-8-31-9-7-27/h4-5,10-13H,6-9,14H2,1-3H3,(H,23,25)(H,24,28)
• InChIKey: FRNARNJJQXDTGR-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 107.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.56
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?

The IUPAC name of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide (CID 164573674) is 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide.

What is the SMILES notation for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?

The canonical SMILES for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide is Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)c(C)c2)c2[nH]ncc2c1.

What is the InChIKey of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?

The InChIKey is FRNARNJJQXDTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-15-10-17-13-23-25-22(17)20(11-15)32(29,30)26(3)14-21(28)24-18-4-5-19(16(2)12-18)27-6-8-31-9-7-27/h4-5,10-13H,6-9,14H2,1-3H3,(H,23,25)(H,24,28).

What are the key properties of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?

2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 457.56 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 164573674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).