3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide

C25H27N3O4S — CID 53280459

IUPAC3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(N)=O)c2C)c2cccc(C)c2C)cc1
InChIInChI=1S/C25H27N3O4S/c1-16-11-13-20(14-12-16)33(31,32)28(23-10-5-7-17(2)18(23)3)15-24(29)27-22-9-6-8-21(19(22)4)25(26)30/h5-14H,15H2,1-4H3,(H2,26,30)(H,27,29)
InChIKeyWLTVFQHFAUMUKZ-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.85
Rot. Bonds7

About 3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide

3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide (PubChem CID 53280459) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
PubChem CID53280459
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(N)=O)c2C)c2cccc(C)c2C)cc1
InChIInChI=1S/C25H27N3O4S/c1-16-11-13-20(14-12-16)33(31,32)28(23-10-5-7-17(2)18(23)3)15-24(29)27-22-9-6-8-21(19(22)4)25(26)30/h5-14H,15H2,1-4H3,(H2,26,30)(H,27,29)
InChIKeyWLTVFQHFAUMUKZ-UHFFFAOYSA-N
XLogP3.85
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 53279437
N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1303550
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
2-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 21371690
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126118965
N-(2,5-dimethoxyphenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1293361
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 53280413
ethyl 3-chloro-4-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 92647242
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 2175027

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide (CID 53280459) is 3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(N)=O)c2C)c2cccc(C)c2C)cc1.
What is the InChIKey of 3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide?
The InChIKey is WLTVFQHFAUMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-16-11-13-20(14-12-16)33(31,32)28(23-10-5-7-17(2)18(23)3)15-24(29)27-22-9-6-8-21(19(22)4)25(26)30/h5-14H,15H2,1-4H3,(H2,26,30)(H,27,29).
What are the key properties of 3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide?
3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide has a molecular weight of 465.58 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide is sourced from PubChem (CID 53280459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).