N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H22N6O3S — CID 4830966

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2nc3nccc(C)n3n2)ccc1C
InChIInChI=1S/C18H22N6O3S/c1-5-23(6-2)28(26,27)15-11-14(8-7-12(15)3)20-17(25)16-21-18-19-10-9-13(4)24(18)22-16/h7-11H,5-6H2,1-4H3,(H,20,25)
InChIKeyURUVDIWSTPNBOV-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.02
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4830966) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4830966
Molecular FormulaC18H22N6O3S
Molecular Weight402.48 g/mol
Exact Mass402.15
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2nc3nccc(C)n3n2)ccc1C
InChIInChI=1S/C18H22N6O3S/c1-5-23(6-2)28(26,27)15-11-14(8-7-12(15)3)20-17(25)16-21-18-19-10-9-13(4)24(18)22-16/h7-11H,5-6H2,1-4H3,(H,20,25)
InChIKeyURUVDIWSTPNBOV-UHFFFAOYSA-N
XLogP2.02
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2516944
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 4851384
N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 4851816
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 46489174
7-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31508079
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 29356996
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 4830966) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2nc3nccc(C)n3n2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is URUVDIWSTPNBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S/c1-5-23(6-2)28(26,27)15-11-14(8-7-12(15)3)20-17(25)16-21-18-19-10-9-13(4)24(18)22-16/h7-11H,5-6H2,1-4H3,(H,20,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4830966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).