N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide

C15H20N2O4S — CID 110759146

IUPACN-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
SMILESCN1C(=O)CCOc2ccc(S(=O)(=O)NC3CCCC3)cc21
InChIInChI=1S/C15H20N2O4S/c1-17-13-10-12(6-7-14(13)21-9-8-15(17)18)22(19,20)16-11-4-2-3-5-11/h6-7,10-11,16H,2-5,8-9H2,1H3
InChIKeyZUOBBQUAYVLNKW-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.65
Rot. Bonds3

About N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide

N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide (PubChem CID 110759146) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
PubChem CID110759146
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
SMILESCN1C(=O)CCOc2ccc(S(=O)(=O)NC3CCCC3)cc21
InChIInChI=1S/C15H20N2O4S/c1-17-13-10-12(6-7-14(13)21-9-8-15(17)18)22(19,20)16-11-4-2-3-5-11/h6-7,10-11,16H,2-5,8-9H2,1H3
InChIKeyZUOBBQUAYVLNKW-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide
CID 110778415
N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759162
N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
CID 110770827
5-methyl-4-oxo-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759161
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
5-methyl-7-[1-(methylamino)propan-2-yl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82498737
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 110778347
7-(4-acetylpiperazin-1-yl)sulfonyl-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 110817097
N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100608093
4-acetyl-N-cycloheptyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 126457873
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-carbaldehyde
CID 82230292

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide?
The IUPAC name of N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide (CID 110759146) is N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide.
What is the SMILES notation for N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide?
The canonical SMILES for N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide is CN1C(=O)CCOc2ccc(S(=O)(=O)NC3CCCC3)cc21.
What is the InChIKey of N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide?
The InChIKey is ZUOBBQUAYVLNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-17-13-10-12(6-7-14(13)21-9-8-15(17)18)22(19,20)16-11-4-2-3-5-11/h6-7,10-11,16H,2-5,8-9H2,1H3.
What are the key properties of N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide?
N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide is sourced from PubChem (CID 110759146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).