N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

C24H23N3O5S — CID 122322978

IUPACN-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESCOc1ccc(-c2cn3ccc(C)cc3n2)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C24H23N3O5S/c1-16-8-9-27-15-20(25-24(27)12-16)17-4-6-21(30-2)19(13-17)26-33(28,29)18-5-7-22-23(14-18)32-11-3-10-31-22/h4-9,12-15,26H,3,10-11H2,1-2H3
InChIKeyJOCQBVBYVYDEKA-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.28
Rot. Bonds5

About N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (PubChem CID 122322978) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
PubChem CID122322978
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESCOc1ccc(-c2cn3ccc(C)cc3n2)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C24H23N3O5S/c1-16-8-9-27-15-20(25-24(27)12-16)17-4-6-21(30-2)19(13-17)26-33(28,29)18-5-7-22-23(14-18)32-11-3-10-31-22/h4-9,12-15,26H,3,10-11H2,1-2H3
InChIKeyJOCQBVBYVYDEKA-UHFFFAOYSA-N
XLogP4.28
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-difluoro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122322962
3-acetyl-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122322953
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 122322778
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122323542
3,4-dimethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 6494028
3-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 122323277
5-[(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)sulfamoyl]-2-methoxybenzamide
CID 122323270
2-methoxy-5-[[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]sulfamoyl]benzamide
CID 122285031
4-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122323097
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283841
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 122322840

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The IUPAC name of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (CID 122322978) is N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The canonical SMILES for N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is COc1ccc(-c2cn3ccc(C)cc3n2)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2.
What is the InChIKey of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The InChIKey is JOCQBVBYVYDEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-16-8-9-27-15-20(25-24(27)12-16)17-4-6-21(30-2)19(13-17)26-33(28,29)18-5-7-22-23(14-18)32-11-3-10-31-22/h4-9,12-15,26H,3,10-11H2,1-2H3.
What are the key properties of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide has a molecular weight of 465.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is sourced from PubChem (CID 122322978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).