2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide

C22H22FN7O3S — CID 30585777

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C22H22FN7O3S/c1-12-8-9-15(10-19(12)34(32,33)29-18-7-5-4-6-17(18)23)26-20(31)11-16-13(2)25-22-27-21(24)28-30(22)14(16)3/h4-10,29H,11H2,1-3H3,(H2,24,28)(H,26,31)
InChIKeyHNQJOERXYYPZMZ-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.75
Rot. Bonds6

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide (PubChem CID 30585777) has the molecular formula C22H22FN7O3S and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide
PubChem CID30585777
Molecular FormulaC22H22FN7O3S
Molecular Weight483.53 g/mol
Exact Mass483.15
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C22H22FN7O3S/c1-12-8-9-15(10-19(12)34(32,33)29-18-7-5-4-6-17(18)23)26-20(31)11-16-13(2)25-22-27-21(24)28-30(22)14(16)3/h4-10,29H,11H2,1-3H3,(H2,24,28)(H,26,31)
InChIKeyHNQJOERXYYPZMZ-UHFFFAOYSA-N
XLogP2.75
TPSA144.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 25489998
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 31473967
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide
CID 47091745
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 31474000
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 9043043
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 24648345
N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide
CID 56520478
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
2-[4-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-N,N-dimethylacetamide
CID 55869151
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-naphthalen-2-ylacetamide
CID 24615564
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 4855252
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 35155544

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide (CID 30585777) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide is Cc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is HNQJOERXYYPZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O3S/c1-12-8-9-15(10-19(12)34(32,33)29-18-7-5-4-6-17(18)23)26-20(31)11-16-13(2)25-22-27-21(24)28-30(22)14(16)3/h4-10,29H,11H2,1-3H3,(H2,24,28)(H,26,31).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 483.53 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 30585777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).