N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

C23H33N3O4S — CID 46282231

About N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 46282231) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
• PubChem CID: 46282231
• Molecular Formula: C23H33N3O4S
• Molecular Weight: 447.60 g/mol
• Exact Mass: 447.22
• IUPAC Name: N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
• SMILES: O=C1CCCc2cc(S(=O)(=O)N3CCCC(C(=O)NC4CCCCCC4)C3)ccc2N1
• InChI: InChI=1S/C23H33N3O4S/c27-22-11-5-7-17-15-20(12-13-21(17)25-22)31(29,30)26-14-6-8-18(16-26)23(28)24-19-9-3-1-2-4-10-19/h12-13,15,18-19H,1-11,14,16H2,(H,24,28)(H,25,27)
• InChIKey: SBQWQZDUAVRZKB-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.60
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide?

The IUPAC name of N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide (CID 46282231) is N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide.

What is the SMILES notation for N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide?

The canonical SMILES for N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide is O=C1CCCc2cc(S(=O)(=O)N3CCCC(C(=O)NC4CCCCCC4)C3)ccc2N1.

What is the InChIKey of N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide?

The InChIKey is SBQWQZDUAVRZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c27-22-11-5-7-17-15-20(12-13-21(17)25-22)31(29,30)26-14-6-8-18(16-26)23(28)24-19-9-3-1-2-4-10-19/h12-13,15,18-19H,1-11,14,16H2,(H,24,28)(H,25,27).

What are the key properties of N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide?

N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 46282231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).