4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide

C23H35N3O4S — CID 46335917

IUPAC4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide
SMILESCC(C)CC(NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C23H35N3O4S/c1-15(2)13-21(23(28)24-18-9-7-16(3)8-10-18)26-31(29,30)19-11-12-20-17(14-19)5-4-6-22(27)25-20/h11-12,14-16,18,21,26H,4-10,13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyUNXUALGLQCNBNM-UHFFFAOYSA-N
MW449.62 g/mol
LogP3.35
Rot. Bonds7

About 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide

4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide (PubChem CID 46335917) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide
PubChem CID46335917
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC Name4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide
SMILESCC(C)CC(NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C23H35N3O4S/c1-15(2)13-21(23(28)24-18-9-7-16(3)8-10-18)26-31(29,30)19-11-12-20-17(14-19)5-4-6-22(27)25-20/h11-12,14-16,18,21,26H,4-10,13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyUNXUALGLQCNBNM-UHFFFAOYSA-N
XLogP3.35
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide with MolForge

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Related Compounds

N-[(2S)-4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92707499
N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
CID 119055173
N-[(2S)-1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92707489
(2S)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 92661843
(2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 92661844
N-[1-(2-methylphenyl)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 47029572
N-cyclohexyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864416
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide
CID 92723757
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964
4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 46335868

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide?
The IUPAC name of 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide (CID 46335917) is 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide.
What is the SMILES notation for 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide?
The canonical SMILES for 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide is CC(C)CC(NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NC1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide?
The InChIKey is UNXUALGLQCNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S/c1-15(2)13-21(23(28)24-18-9-7-16(3)8-10-18)26-31(29,30)19-11-12-20-17(14-19)5-4-6-22(27)25-20/h11-12,14-16,18,21,26H,4-10,13H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide?
4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide has a molecular weight of 449.62 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide is sourced from PubChem (CID 46335917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).