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

C14H20N2O4S — CID 110759162

IUPACN,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(C)C(=O)CCO2
InChIInChI=1S/C14H20N2O4S/c1-4-16(5-2)21(18,19)11-6-7-13-12(10-11)15(3)14(17)8-9-20-13/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyUERZBSBINNFPNA-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.46
Rot. Bonds4

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

N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide (PubChem CID 110759162) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
PubChem CID110759162
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(C)C(=O)CCO2
InChIInChI=1S/C14H20N2O4S/c1-4-16(5-2)21(18,19)11-6-7-13-12(10-11)15(3)14(17)8-9-20-13/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyUERZBSBINNFPNA-UHFFFAOYSA-N
XLogP1.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 110758990
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
7-(4-acetylpiperazin-1-yl)sulfonyl-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 110817097
5-methyl-4-oxo-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759161
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-carbaldehyde
CID 82230292
4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide
CID 110778415
7-(1-aminopropyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82496313
5-methyl-7-[1-(methylamino)propan-2-yl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82498737
5-methyl-7-(3-methylbutyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 156648301
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanenitrile
CID 82474347
7-(1-amino-2-hydroxypropan-2-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82480880
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82232417

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide?
The IUPAC name of N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide (CID 110759162) is N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide.
What is the SMILES notation for N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide?
The canonical SMILES for N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)N(C)C(=O)CCO2.
What is the InChIKey of N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide?
The InChIKey is UERZBSBINNFPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-16(5-2)21(18,19)11-6-7-13-12(10-11)15(3)14(17)8-9-20-13/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide?
N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide is sourced from PubChem (CID 110759162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).