N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

C26H30N4O4S — CID 55602264

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (PubChem CID 55602264) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
• PubChem CID: 55602264
• Molecular Formula: C26H30N4O4S
• Molecular Weight: 494.62 g/mol
• Exact Mass: 494.20
• IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2
• InChI: InChI=1S/C26H30N4O4S/c1-19-11-12-21(35(32,33)29-14-16-34-17-15-29)18-22(19)27-26(31)24-23-10-6-3-7-13-30(23)25(28-24)20-8-4-2-5-9-20/h2,4-5,8-9,11-12,18H,3,6-7,10,13-17H2,1H3,(H,27,31)
• InChIKey: ZGJMBKMNWNNDAX-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.62
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (CID 55602264) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2.

What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

The InChIKey is ZGJMBKMNWNNDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-19-11-12-21(35(32,33)29-14-16-34-17-15-29)18-22(19)27-26(31)24-23-10-6-3-7-13-30(23)25(28-24)20-8-4-2-5-9-20/h2,4-5,8-9,11-12,18H,3,6-7,10,13-17H2,1H3,(H,27,31).

What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide has a molecular weight of 494.62 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is sourced from PubChem (CID 55602264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).