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

C25H31N3O4S — CID 46282208

IUPAC1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)cc1
InChIInChI=1S/C25H31N3O4S/c1-17(2)18-6-8-21(9-7-18)26-25(30)19-12-14-28(15-13-19)33(31,32)22-10-11-23-20(16-22)4-3-5-24(29)27-23/h6-11,16-17,19H,3-5,12-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyUIBYXEXEJALUQV-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.12
Rot. Bonds5

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

1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 46282208) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID46282208
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)cc1
InChIInChI=1S/C25H31N3O4S/c1-17(2)18-6-8-21(9-7-18)26-25(30)19-12-14-28(15-13-19)33(31,32)22-10-11-23-20(16-22)4-3-5-24(29)27-23/h6-11,16-17,19H,3-5,12-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyUIBYXEXEJALUQV-UHFFFAOYSA-N
XLogP4.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(4-methylphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 122176006
1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 95068629
7-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 119974817
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53298194
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55837185
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440
N-[4-(methylcarbamoylamino)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46518214
N-(4-chlorophenyl)-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 126458868
N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915615
N-[4-(difluoromethoxy)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894793
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53106232

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 46282208) is 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)cc1.
What is the InChIKey of 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is UIBYXEXEJALUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-17(2)18-6-8-21(9-7-18)26-25(30)19-12-14-28(15-13-19)33(31,32)22-10-11-23-20(16-22)4-3-5-24(29)27-23/h6-11,16-17,19H,3-5,12-15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46282208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).