N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide

C14H14N2O4S2 — CID 110778416

IUPACN-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide
SMILESCN1C(=O)CCOc2ccc(NS(=O)(=O)c3cccs3)cc21
InChIInChI=1S/C14H14N2O4S2/c1-16-11-9-10(4-5-12(11)20-7-6-13(16)17)15-22(18,19)14-3-2-8-21-14/h2-5,8-9,15H,6-7H2,1H3
InChIKeyRUEBOPVNUXAHRY-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.29
Rot. Bonds3

About N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide (PubChem CID 110778416) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide
PubChem CID110778416
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC NameN-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide
SMILESCN1C(=O)CCOc2ccc(NS(=O)(=O)c3cccs3)cc21
InChIInChI=1S/C14H14N2O4S2/c1-16-11-9-10(4-5-12(11)20-7-6-13(16)17)15-22(18,19)14-3-2-8-21-14/h2-5,8-9,15H,6-7H2,1H3
InChIKeyRUEBOPVNUXAHRY-UHFFFAOYSA-N
XLogP2.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636353
1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
CID 110774643
7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82499150
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 110793064
N-(1-ethyl-2-oxo-3H-indol-5-yl)thiophene-2-sulfonamide
CID 41342430
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 7517976
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46487765
5-methyl-7-[1-(methylamino)propan-2-yl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82498737
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-carbaldehyde
CID 82230292
N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759146

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide (CID 110778416) is N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide is CN1C(=O)CCOc2ccc(NS(=O)(=O)c3cccs3)cc21.
What is the InChIKey of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide?
The InChIKey is RUEBOPVNUXAHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-16-11-9-10(4-5-12(11)20-7-6-13(16)17)15-22(18,19)14-3-2-8-21-14/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide?
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 110778416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).