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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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).