N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

C21H19N5O3S2 — CID 25434721

IUPACN-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C21H19N5O3S2/c1-25(2)31(28,29)17-11-6-8-15(14-17)22-21(27)19-23-20(18-12-7-13-30-18)26(24-19)16-9-4-3-5-10-16/h3-14H,1-2H3,(H,22,27)
InChIKeyDYJRIVXKXXRCKR-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.50
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 25434721) has the molecular formula C21H19N5O3S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID25434721
Molecular FormulaC21H19N5O3S2
Molecular Weight453.55 g/mol
Exact Mass453.09
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C21H19N5O3S2/c1-25(2)31(28,29)17-11-6-8-15(14-17)22-21(27)19-23-20(18-12-7-13-30-18)26(24-19)16-9-4-3-5-10-16/h3-14H,1-2H3,(H,22,27)
InChIKeyDYJRIVXKXXRCKR-UHFFFAOYSA-N
XLogP3.50
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylsulfonylphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55504619
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
N-(4-ethylsulfonylphenyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 30901784
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55614002
N-methoxy-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 46577778
N-[2-(diethylamino)-2-oxoethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 48503702
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55609183
N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 42090253
N'-[2-(4-methylanilino)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
CID 55505843
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 26289208
N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-8-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 166234699
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55506834

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 25434721) is N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is DYJRIVXKXXRCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S2/c1-25(2)31(28,29)17-11-6-8-15(14-17)22-21(27)19-23-20(18-12-7-13-30-18)26(24-19)16-9-4-3-5-10-16/h3-14H,1-2H3,(H,22,27).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 25434721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).