N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C18H21N5O3S — CID 59477041

IUPACN-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCCCCNS(=O)(=O)c1cccc(-c2ccc3nc(NC(C)=O)nn3c2)c1
InChIInChI=1S/C18H21N5O3S/c1-3-4-10-19-27(25,26)16-7-5-6-14(11-16)15-8-9-17-21-18(20-13(2)24)22-23(17)12-15/h5-9,11-12,19H,3-4,10H2,1-2H3,(H,20,22,24)
InChIKeyJZPGQHIVOBRQCX-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.43
Rot. Bonds7

About N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 59477041) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID59477041
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCCCCNS(=O)(=O)c1cccc(-c2ccc3nc(NC(C)=O)nn3c2)c1
InChIInChI=1S/C18H21N5O3S/c1-3-4-10-19-27(25,26)16-7-5-6-14(11-16)15-8-9-17-21-18(20-13(2)24)22-23(17)12-15/h5-9,11-12,19H,3-4,10H2,1-2H3,(H,20,22,24)
InChIKeyJZPGQHIVOBRQCX-UHFFFAOYSA-N
XLogP2.43
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Czc-24832
CID 42623951
4-({5-[(4-aminocyclohexyl)amino]-3-cyclopentylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 23645566
N-[6-(5-Methylsulfonylpyridin-3-Yl)-[1,2,4]triazolo[1,5-A]pyridin-2-Yl]ethanamide
CID 25128663
5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide
CID 42623223
N-tert-Butyl-5-(2-(3-(2-morpholino-2-oxoethyl)ureido)-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide
CID 46853654
N-tert-Butyl-5-(2-(3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)ureido)-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-3-sulfonamide
CID 46871497
4-[2-[(3-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide
CID 6619879
3-cyano-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 9508066
1-[6-[5-(Tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylurea
CID 70694805
N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 25129386
N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
CID 25130429
N-[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 25132804

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 59477041) is N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is CCCCNS(=O)(=O)c1cccc(-c2ccc3nc(NC(C)=O)nn3c2)c1.
What is the InChIKey of N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is JZPGQHIVOBRQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-3-4-10-19-27(25,26)16-7-5-6-14(11-16)15-8-9-17-21-18(20-13(2)24)22-23(17)12-15/h5-9,11-12,19H,3-4,10H2,1-2H3,(H,20,22,24).
What are the key properties of N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 387.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 59477041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).