N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

C21H18N4O3S — CID 42090253

IUPACN-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C21H18N4O3S/c1-27-15-10-11-17(28-2)16(13-15)22-21(26)19-23-20(18-9-6-12-29-18)25(24-19)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,22,26)
InChIKeyUYXVNTHHUMXWHC-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.27
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 42090253) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID42090253
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C21H18N4O3S/c1-27-15-10-11-17(28-2)16(13-15)22-21(26)19-23-20(18-9-6-12-29-18)25(24-19)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,22,26)
InChIKeyUYXVNTHHUMXWHC-UHFFFAOYSA-N
XLogP4.27
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 46509882
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52584333
1-(3-fluorophenyl)-N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52553435
N-(5-carbamoyl-2-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55783247
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 46509719
N-(4-methylsulfonylphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55504619
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55766192
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
N-methoxy-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 46577778

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 42090253) is N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is COc1ccc(OC)c(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is UYXVNTHHUMXWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-27-15-10-11-17(28-2)16(13-15)22-21(26)19-23-20(18-9-6-12-29-18)25(24-19)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,22,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42090253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).