2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C25H29N3O5S2 — CID 126129293

IUPAC2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C25H29N3O5S2/c1-18-10-13-23(14-11-18)35(32,33)28(24-15-19(2)9-12-20(24)3)17-25(29)26-21-7-6-8-22(16-21)27(4)34(5,30)31/h6-16H,17H2,1-5H3,(H,26,29)
InChIKeyCZOKTQXTTKHOHQ-UHFFFAOYSA-N
MW515.66 g/mol
LogP3.84
Rot. Bonds8

About 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 126129293) has the molecular formula C25H29N3O5S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID126129293
Molecular FormulaC25H29N3O5S2
Molecular Weight515.66 g/mol
Exact Mass515.15
IUPAC Name2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C25H29N3O5S2/c1-18-10-13-23(14-11-18)35(32,33)28(24-15-19(2)9-12-20(24)3)17-25(29)26-21-7-6-8-22(16-21)27(4)34(5,30)31/h6-16H,17H2,1-5H3,(H,26,29)
InChIKeyCZOKTQXTTKHOHQ-UHFFFAOYSA-N
XLogP3.84
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126142617
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30170588
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1315993
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 4841035
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126122522
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2228425
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide
CID 1372321
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1309384
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1317361
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1295597
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2111546
N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126254789

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 126129293) is 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is CZOKTQXTTKHOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S2/c1-18-10-13-23(14-11-18)35(32,33)28(24-15-19(2)9-12-20(24)3)17-25(29)26-21-7-6-8-22(16-21)27(4)34(5,30)31/h6-16H,17H2,1-5H3,(H,26,29).
What are the key properties of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 515.66 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 126129293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).