N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide

C22H26N2O5S — CID 110213797

IUPACN-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)N1Cc2ccccc2OC2(CCOCC2)C1
InChIInChI=1S/C22H26N2O5S/c1-17(23-30(26,27)19-8-3-2-4-9-19)21(25)24-15-18-7-5-6-10-20(18)29-22(16-24)11-13-28-14-12-22/h2-10,17,23H,11-16H2,1H3
InChIKeyAROZOXJSFGSTMN-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.32
Rot. Bonds4

About N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide

N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide (PubChem CID 110213797) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide
PubChem CID110213797
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)N1Cc2ccccc2OC2(CCOCC2)C1
InChIInChI=1S/C22H26N2O5S/c1-17(23-30(26,27)19-8-3-2-4-9-19)21(25)24-15-18-7-5-6-10-20(18)29-22(16-24)11-13-28-14-12-22/h2-10,17,23H,11-16H2,1H3
InChIKeyAROZOXJSFGSTMN-UHFFFAOYSA-N
XLogP2.32
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-yl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 110213702
(2S)-2-amino-3-phenyl-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-1-one
CID 95797003
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
2-amino-N-[1-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-azepane]-4-yl)-1-oxopropan-2-yl]propanamide
CID 110234813
N-propan-2-yl-2-(spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylmethyl)pyrrolidine-1-carboxamide
CID 110213834
1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone
CID 92610246
N-methyl-N-[4-[(2R)-2-methylbutanoyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]acetamide
CID 92585776
2-amino-1-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-3-phenylpropan-1-one
CID 110234773
N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 95276198
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-4-ethylbenzenesulfonamide
CID 110347703
1-[1'-(oxane-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl]ethanone
CID 95853993

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide (CID 110213797) is N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1)C(=O)N1Cc2ccccc2OC2(CCOCC2)C1.
What is the InChIKey of N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is AROZOXJSFGSTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-17(23-30(26,27)19-8-3-2-4-9-19)21(25)24-15-18-7-5-6-10-20(18)29-22(16-24)11-13-28-14-12-22/h2-10,17,23H,11-16H2,1H3.
What are the key properties of N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide?
N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-oxane]-4-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 110213797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).