N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

C19H27N3O5S — CID 92747044

IUPACN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)N1CCOCC1
InChIInChI=1S/C19H27N3O5S/c1-13(2)18(19(24)22-8-10-27-11-9-22)21-28(25,26)15-6-7-16-14(12-15)4-3-5-17(23)20-16/h6-7,12-13,18,21H,3-5,8-11H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyZIAVLYVLXFELJI-SFHVURJKSA-N
MW409.51 g/mol
LogP1.12
Rot. Bonds5

About N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (PubChem CID 92747044) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
PubChem CID92747044
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC NameN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)N1CCOCC1
InChIInChI=1S/C19H27N3O5S/c1-13(2)18(19(24)22-8-10-27-11-9-22)21-28(25,26)15-6-7-16-14(12-15)4-3-5-17(23)20-16/h6-7,12-13,18,21H,3-5,8-11H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyZIAVLYVLXFELJI-SFHVURJKSA-N
XLogP1.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335909
N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92707486
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
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
CID 41012958
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
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide
CID 92723757
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,3-benzodioxole-5-sulfonamide
CID 110348691
N-[1-(2-methylphenyl)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 47029572
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856
N-(2,6-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927828
4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide
CID 46335917

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The IUPAC name of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (CID 92747044) is N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The canonical SMILES for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The InChIKey is ZIAVLYVLXFELJI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-13(2)18(19(24)22-8-10-27-11-9-22)21-28(25,26)15-6-7-16-14(12-15)4-3-5-17(23)20-16/h6-7,12-13,18,21H,3-5,8-11H2,1-2H3,(H,20,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide has a molecular weight of 409.51 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is sourced from PubChem (CID 92747044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).