2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C24H23N5O3S2 — CID 3190541

IUPAC2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1cccc(-n2c(SCC(N)=O)nnc2-c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1C
InChIInChI=1S/C24H23N5O3S2/c1-16-7-6-10-21(17(16)2)29-23(26-27-24(29)33-15-22(25)30)18-11-13-19(14-12-18)28-34(31,32)20-8-4-3-5-9-20/h3-14,28H,15H2,1-2H3,(H2,25,30)
InChIKeyVLNDJVVOOXQVRE-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.93
Rot. Bonds8

About 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 3190541) has the molecular formula C24H23N5O3S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID3190541
Molecular FormulaC24H23N5O3S2
Molecular Weight493.61 g/mol
Exact Mass493.12
IUPAC Name2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1cccc(-n2c(SCC(N)=O)nnc2-c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1C
InChIInChI=1S/C24H23N5O3S2/c1-16-7-6-10-21(17(16)2)29-23(26-27-24(29)33-15-22(25)30)18-11-13-19(14-12-18)28-34(31,32)20-8-4-3-5-9-20/h3-14,28H,15H2,1-2H3,(H2,25,30)
InChIKeyVLNDJVVOOXQVRE-UHFFFAOYSA-N
XLogP3.93
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5112268
N-[4-[4-(2,3-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
CID 18524128
N-[4-[4-(4-ethylphenyl)-5-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
CID 3190543
2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
CID 5296763
N-carbamoyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2691093
N-[4-[5-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide
CID 1173985
N-(2-methylphenyl)-2-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35395894
3-[[4-(4-methoxyphenyl)-5-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
CID 25041451
N-(2,3-dimethylphenyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 995094
2-[[4-(2,3-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 3212529
ethyl 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 14066141
N-(3-acetylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16536313

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 3190541) is 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1C.
What is the InChIKey of 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is VLNDJVVOOXQVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S2/c1-16-7-6-10-21(17(16)2)29-23(26-27-24(29)33-15-22(25)30)18-11-13-19(14-12-18)28-34(31,32)20-8-4-3-5-9-20/h3-14,28H,15H2,1-2H3,(H2,25,30).
What are the key properties of 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 493.61 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 3190541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).