4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide

C18H18N4O4S — CID 167907095

IUPAC4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CS(=O)(=O)c2nncn2-c2ccccc2OC)cc1
InChIInChI=1S/C18H18N4O4S/c1-19-17(23)14-9-7-13(8-10-14)11-27(24,25)18-21-20-12-22(18)15-5-3-4-6-16(15)26-2/h3-10,12H,11H2,1-2H3,(H,19,23)
InChIKeyAPVJBBVNCZHQRR-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.61
Rot. Bonds6

About 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide

4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide (PubChem CID 167907095) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide
PubChem CID167907095
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CS(=O)(=O)c2nncn2-c2ccccc2OC)cc1
InChIInChI=1S/C18H18N4O4S/c1-19-17(23)14-9-7-13(8-10-14)11-27(24,25)18-21-20-12-22(18)15-5-3-4-6-16(15)26-2/h3-10,12H,11H2,1-2H3,(H,19,23)
InChIKeyAPVJBBVNCZHQRR-UHFFFAOYSA-N
XLogP1.61
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide 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

4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide
CID 167830776
2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)propan-1-one
CID 4588188
N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27823905
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158170125
N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969488
sodium [4-(methylcarbamoyl)phenyl]methanesulfonate
CID 59940234
2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7871672
(2S)-N-(2-methoxyphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 2111881
4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 37215281
3-[(E)-but-2-enyl]sulfinyl-4-(2-methoxyphenyl)-1,2,4-triazole
CID 75535840
2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide
CID 35989721

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide?
The IUPAC name of 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide (CID 167907095) is 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide is CNC(=O)c1ccc(CS(=O)(=O)c2nncn2-c2ccccc2OC)cc1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide?
The InChIKey is APVJBBVNCZHQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-19-17(23)14-9-7-13(8-10-14)11-27(24,25)18-21-20-12-22(18)15-5-3-4-6-16(15)26-2/h3-10,12H,11H2,1-2H3,(H,19,23).
What are the key properties of 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide?
4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide has a molecular weight of 386.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]-N-methylbenzamide is sourced from PubChem (CID 167907095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).