N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide

C18H20N6O4S — CID 121077953

IUPACN-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)n(C)c2=O)cc1
InChIInChI=1S/C18H20N6O4S/c1-13(25)21-15-5-7-16(8-6-15)29(27,28)20-10-11-24-18(26)23(2)17(22-24)14-4-3-9-19-12-14/h3-9,12,20H,10-11H2,1-2H3,(H,21,25)
InChIKeyRAUDGEABDVJALS-UHFFFAOYSA-N
MW416.46 g/mol
LogP0.58
Rot. Bonds7

About N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 121077953) has the molecular formula C18H20N6O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID121077953
Molecular FormulaC18H20N6O4S
Molecular Weight416.46 g/mol
Exact Mass416.13
IUPAC NameN-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)n(C)c2=O)cc1
InChIInChI=1S/C18H20N6O4S/c1-13(25)21-15-5-7-16(8-6-15)29(27,28)20-10-11-24-18(26)23(2)17(22-24)14-4-3-9-19-12-14/h3-9,12,20H,10-11H2,1-2H3,(H,21,25)
InChIKeyRAUDGEABDVJALS-UHFFFAOYSA-N
XLogP0.58
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

3-[1-[2-(dimethylsulfamoylamino)ethyl]-4-methyl-5-oxo-1,2,4-triazol-3-yl]pyridine
CID 121077991
5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 121077958
2,5-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 121077960
2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121078971
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
CID 121078990
N-[4-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 71793744
1-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121078344
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide
CID 121079039
N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121020081
N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 46286493
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 121079027

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide (CID 121077953) is N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)n(C)c2=O)cc1.
What is the InChIKey of N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is RAUDGEABDVJALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S/c1-13(25)21-15-5-7-16(8-6-15)29(27,28)20-10-11-24-18(26)23(2)17(22-24)14-4-3-9-19-12-14/h3-9,12,20H,10-11H2,1-2H3,(H,21,25).
What are the key properties of N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 416.46 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 121077953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).