N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide

C20H23N3O5S — CID 46282164

About N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide

N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide (PubChem CID 46282164) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
• PubChem CID: 46282164
• Molecular Formula: C20H23N3O5S
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.14
• IUPAC Name: N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
• SMILES: COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
• InChI: InChI=1S/C20H23N3O5S/c1-23(13-20(25)22-17-7-3-4-8-18(17)28-2)29(26,27)15-10-11-16-14(12-15)6-5-9-19(24)21-16/h3-4,7-8,10-12H,5-6,9,13H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: IVFZMEFHJKUFBZ-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?

The IUPAC name of N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide (CID 46282164) is N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide.

What is the SMILES notation for N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?

The canonical SMILES for N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide is COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2.

What is the InChIKey of N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?

The InChIKey is IVFZMEFHJKUFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-23(13-20(25)22-17-7-3-4-8-18(17)28-2)29(26,27)15-10-11-16-14(12-15)6-5-9-19(24)21-16/h3-4,7-8,10-12H,5-6,9,13H2,1-2H3,(H,21,24)(H,22,25).

What are the key properties of N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?

N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide has a molecular weight of 417.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 46282164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).