N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide

C24H24N2O6S — CID 53097113

IUPACN,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc2c(cc1Oc1ccccc1OC)Oc1ccccc1NC2=O
InChIInChI=1S/C24H24N2O6S/c1-4-26(5-2)33(28,29)23-14-16-21(31-18-11-7-6-10-17(18)25-24(16)27)15-22(23)32-20-13-9-8-12-19(20)30-3/h6-15H,4-5H2,1-3H3,(H,25,27)
InChIKeySZZMDMBVRGSVJQ-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.88
Rot. Bonds7

About N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide

N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide (PubChem CID 53097113) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
PubChem CID53097113
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc2c(cc1Oc1ccccc1OC)Oc1ccccc1NC2=O
InChIInChI=1S/C24H24N2O6S/c1-4-26(5-2)33(28,29)23-14-16-21(31-18-11-7-6-10-17(18)25-24(16)27)15-22(23)32-20-13-9-8-12-19(20)30-3/h6-15H,4-5H2,1-3H3,(H,25,27)
InChIKeySZZMDMBVRGSVJQ-UHFFFAOYSA-N
XLogP4.88
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide with MolForge

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Related Compounds

9-(2-methylphenoxy)-8-piperidin-1-ylsulfonyl-5H-benzo[b][1,4]benzoxazepin-6-one
CID 53097380
9-(4-methoxyphenoxy)-N,N,3-trimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 53097198
N,N,3-trimethyl-9-(4-methylphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 53097394
9-(3,4-dimethylphenoxy)-N,N,3-trimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 53097191
9-(2-bromophenoxy)-3-methyl-8-pyrrolidin-1-ylsulfonyl-5H-benzo[b][1,4]benzoxazepin-6-one
CID 53097243
N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 42648434
4-methoxy-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 16826883
8-(azepan-1-ylsulfonyl)-9-(2-bromophenoxy)-3-methyl-5H-benzo[b][1,4]benzoxazepin-6-one
CID 53097341
N-cyclopentyl-N,3-dimethyl-9-(4-methylphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 53097351
2-methyl-8-morpholin-4-ylsulfonyl-9-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one
CID 53097365
9-chloro-8-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-5H-benzo[b][1,4]benzoxazepin-6-one
CID 95054405
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide
CID 56561819

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide?
The IUPAC name of N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide (CID 53097113) is N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide.
What is the SMILES notation for N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide?
The canonical SMILES for N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide is CCN(CC)S(=O)(=O)c1cc2c(cc1Oc1ccccc1OC)Oc1ccccc1NC2=O.
What is the InChIKey of N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide?
The InChIKey is SZZMDMBVRGSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-4-26(5-2)33(28,29)23-14-16-21(31-18-11-7-6-10-17(18)25-24(16)27)15-22(23)32-20-13-9-8-12-19(20)30-3/h6-15H,4-5H2,1-3H3,(H,25,27).
What are the key properties of N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide?
N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide has a molecular weight of 468.53 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide is sourced from PubChem (CID 53097113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).