N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

C23H29N5O3S — CID 55884402

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C23H29N5O3S/c1-6-27(7-2)32(30,31)21-14-10-19(11-15-21)17(4)24-23(29)22-18(5)28(26-25-22)20-12-8-16(3)9-13-20/h8-15,17H,6-7H2,1-5H3,(H,24,29)
InChIKeyJQBJYYSMRHOZKG-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.41
Rot. Bonds8

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 55884402) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID55884402
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C23H29N5O3S/c1-6-27(7-2)32(30,31)21-14-10-19(11-15-21)17(4)24-23(29)22-18(5)28(26-25-22)20-12-8-16(3)9-13-20/h8-15,17H,6-7H2,1-5H3,(H,24,29)
InChIKeyJQBJYYSMRHOZKG-UHFFFAOYSA-N
XLogP3.41
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 31367915
3-methyl-2-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119170359
1-(4-fluorophenyl)-5-methyl-N-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 27245858
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 27261462
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(4-methylphenyl)butanamide
CID 55773914
N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86819205
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 55884402) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is JQBJYYSMRHOZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-6-27(7-2)32(30,31)21-14-10-19(11-15-21)17(4)24-23(29)22-18(5)28(26-25-22)20-12-8-16(3)9-13-20/h8-15,17H,6-7H2,1-5H3,(H,24,29).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55884402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).