N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide

C20H24N4O4S — CID 121077844

IUPACN-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2nn(CCNS(=O)(=O)c3cc(C)ccc3C)c(=O)n2C)cc1
InChIInChI=1S/C20H24N4O4S/c1-14-5-6-15(2)18(13-14)29(26,27)21-11-12-24-20(25)23(3)19(22-24)16-7-9-17(28-4)10-8-16/h5-10,13,21H,11-12H2,1-4H3
InChIKeyDWYHOOSNSUMQAE-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.85
Rot. Bonds7

About N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide

N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 121077844) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID121077844
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2nn(CCNS(=O)(=O)c3cc(C)ccc3C)c(=O)n2C)cc1
InChIInChI=1S/C20H24N4O4S/c1-14-5-6-15(2)18(13-14)29(26,27)21-11-12-24-20(25)23(3)19(22-24)16-7-9-17(28-4)10-8-16/h5-10,13,21H,11-12H2,1-4H3
InChIKeyDWYHOOSNSUMQAE-UHFFFAOYSA-N
XLogP1.85
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide 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

1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole
CID 121077928
2,5-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 121077960
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 41241629
2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 121117846
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121078614
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 90516373
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide
CID 121078640
2,4-dichloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylbenzenesulfonamide
CID 121034014
4-chloro-N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]benzenesulfonamide
CID 121077860
3,4-difluoro-N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]benzamide
CID 121078621
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide (CID 121077844) is N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide is COc1ccc(-c2nn(CCNS(=O)(=O)c3cc(C)ccc3C)c(=O)n2C)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is DWYHOOSNSUMQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-14-5-6-15(2)18(13-14)29(26,27)21-11-12-24-20(25)23(3)19(22-24)16-7-9-17(28-4)10-8-16/h5-10,13,21H,11-12H2,1-4H3.
What are the key properties of N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 121077844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).