N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

C22H26FN5O4S — CID 24509300

IUPACN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H26FN5O4S/c1-5-27(6-2)33(30,31)18-12-13-20(32-7-3)19(14-18)25-22(29)21-24-15(4)28(26-21)17-10-8-16(23)9-11-17/h8-14H,5-7H2,1-4H3,(H,25,29)
InChIKeyFRPIUJIXURQRPM-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.40
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 24509300) has the molecular formula C22H26FN5O4S and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID24509300
Molecular FormulaC22H26FN5O4S
Molecular Weight475.55 g/mol
Exact Mass475.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H26FN5O4S/c1-5-27(6-2)33(30,31)18-12-13-20(32-7-3)19(14-18)25-22(29)21-24-15(4)28(26-21)17-10-8-16(23)9-11-17/h8-14H,5-7H2,1-4H3,(H,25,29)
InChIKeyFRPIUJIXURQRPM-UHFFFAOYSA-N
XLogP3.40
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686472
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 55432850
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
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CID 8501680
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55384187
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911264
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 29498799
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea
CID 8683228
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide
CID 26891825

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 24509300) is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is FRPIUJIXURQRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O4S/c1-5-27(6-2)33(30,31)18-12-13-20(32-7-3)19(14-18)25-22(29)21-24-15(4)28(26-21)17-10-8-16(23)9-11-17/h8-14H,5-7H2,1-4H3,(H,25,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24509300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).