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

C23H33N3O4S — CID 92723399

IUPAC(3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
SMILESO=C1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCC4)C3)ccc2N1
InChIInChI=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)/t18-/m0/s1
InChIKeySBQWQZDUAVRZKB-SFHVURJKSA-N
MW447.60 g/mol
LogP3.20
Rot. Bonds4

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

(3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 92723399) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is (3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID92723399
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC Name(3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
SMILESO=C1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCC4)C3)ccc2N1
InChIInChI=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)/t18-/m0/s1
InChIKeySBQWQZDUAVRZKB-SFHVURJKSA-N
XLogP3.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 46282231
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53298194
N-(2-aminoethyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride
CID 119971230
7-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20927898
(3S)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 8799638
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 5209840
1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 142577841
7-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 46282242
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 126767108
N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903556
(3R)-N-benzyl-N-ethyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 92723457

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide (CID 92723399) is (3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide is O=C1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCC4)C3)ccc2N1.
What is the InChIKey of (3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is SBQWQZDUAVRZKB-SFHVURJKSA-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)/t18-/m0/s1.
What are the key properties of (3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide?
(3S)-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 (3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92723399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).