5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide

C23H22N6O5S — CID 118706805

IUPAC5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1c(NS(=O)(=O)c2ccc(C)cc2)cc(-c2ccc3nc(NC(C)=O)nn3c2)cc1C(N)=O
InChIInChI=1S/C23H22N6O5S/c1-13-4-7-17(8-5-13)35(32,33)28-19-11-16(10-18(22(24)31)21(19)34-3)15-6-9-20-26-23(25-14(2)30)27-29(20)12-15/h4-12,28H,1-3H3,(H2,24,31)(H,25,27,30)
InChIKeyWCDJUYAAQCYINI-UHFFFAOYSA-N
MW494.53 g/mol
LogP2.57
Rot. Bonds7

About 5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide

5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 118706805) has the molecular formula C23H22N6O5S and a molecular weight of 494.53 g/mol. Its IUPAC name is 5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID118706805
Molecular FormulaC23H22N6O5S
Molecular Weight494.53 g/mol
Exact Mass494.14
IUPAC Name5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1c(NS(=O)(=O)c2ccc(C)cc2)cc(-c2ccc3nc(NC(C)=O)nn3c2)cc1C(N)=O
InChIInChI=1S/C23H22N6O5S/c1-13-4-7-17(8-5-13)35(32,33)28-19-11-16(10-18(22(24)31)21(19)34-3)15-6-9-20-26-23(25-14(2)30)27-29(20)12-15/h4-12,28H,1-3H3,(H2,24,31)(H,25,27,30)
InChIKeyWCDJUYAAQCYINI-UHFFFAOYSA-N
XLogP2.57
TPSA157.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dimethylurea
CID 122184242
5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide
CID 141302035
5-[(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)sulfamoyl]-2-methoxybenzamide
CID 122323270
ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate
CID 110474210
methyl N-[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
CID 56932226
2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide;4-methylbenzenesulfonic acid;hydrate
CID 145418050
N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
CID 66574821
4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide
CID 110777550
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 121315047
2-(benzenesulfonamido)-4-phenylbenzamide
CID 70022066
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 118706805) is 5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide is COc1c(NS(=O)(=O)c2ccc(C)cc2)cc(-c2ccc3nc(NC(C)=O)nn3c2)cc1C(N)=O.
What is the InChIKey of 5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is WCDJUYAAQCYINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O5S/c1-13-4-7-17(8-5-13)35(32,33)28-19-11-16(10-18(22(24)31)21(19)34-3)15-6-9-20-26-23(25-14(2)30)27-29(20)12-15/h4-12,28H,1-3H3,(H2,24,31)(H,25,27,30).
What are the key properties of 5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide?
5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 494.53 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxy-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 118706805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).