N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide

C24H23N5O4S — CID 166330918

IUPACN-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1S(N)(=O)=O
InChIInChI=1S/C24H23N5O4S/c1-16-23(24(30)26-15-17-8-13-21(33-2)22(14-17)34(25,31)32)27-28-29(16)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,26,30)(H2,25,31,32)
InChIKeyBFECLWGVJUTBBW-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.83
Rot. Bonds7

About N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide

N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide (PubChem CID 166330918) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
PubChem CID166330918
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC NameN-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1S(N)(=O)=O
InChIInChI=1S/C24H23N5O4S/c1-16-23(24(30)26-15-17-8-13-21(33-2)22(14-17)34(25,31)32)27-28-29(16)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,26,30)(H2,25,31,32)
InChIKeyBFECLWGVJUTBBW-UHFFFAOYSA-N
XLogP2.83
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide with MolForge

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Related Compounds

1-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858211
1-(4-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858245
1-(4-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858312
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 17052400
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55886189
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858203
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
N-benzyl-5-methyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17015548
N-benzyl-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide
CID 16654263
3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 50751661
N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55873892
5-methyl-N-[(E)-pent-3-enyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 86952801

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide (CID 166330918) is N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide is COc1ccc(CNC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1S(N)(=O)=O.
What is the InChIKey of N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
The InChIKey is BFECLWGVJUTBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-16-23(24(30)26-15-17-8-13-21(33-2)22(14-17)34(25,31)32)27-28-29(16)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,26,30)(H2,25,31,32).
What are the key properties of N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-sulfamoylphenyl)methyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 166330918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).