N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide

C20H23N5O3S — CID 46422654

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C20H23N5O3S/c1-3-24(4-2)29(27,28)18-12-10-16(11-13-18)14-21-20(26)19-15-25(23-22-19)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,21,26)
InChIKeyIBCSUNUQUMZPSH-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.23
Rot. Bonds8

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide (PubChem CID 46422654) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
PubChem CID46422654
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C20H23N5O3S/c1-3-24(4-2)29(27,28)18-12-10-16(11-13-18)14-21-20(26)19-15-25(23-22-19)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,21,26)
InChIKeyIBCSUNUQUMZPSH-UHFFFAOYSA-N
XLogP2.23
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 136579455
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
4-(diethylsulfamoyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121198005
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119179721
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 53332727
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 51312748
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 33315785

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide (CID 46422654) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nn2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is IBCSUNUQUMZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-3-24(4-2)29(27,28)18-12-10-16(11-13-18)14-21-20(26)19-15-25(23-22-19)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,21,26).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46422654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).