2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

C24H25N3O4S — CID 53279437

IUPAC2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(N(CC(=O)Nc2cccc(C(N)=O)c2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-16-7-11-19(12-8-16)27(32(30,31)20-13-9-17(2)10-14-20)15-23(28)26-22-6-4-5-21(18(22)3)24(25)29/h4-14H,15H2,1-3H3,(H2,25,29)(H,26,28)
InChIKeyYTKHIUBOKATIJH-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.54
Rot. Bonds7

About 2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (PubChem CID 53279437) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
PubChem CID53279437
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(N(CC(=O)Nc2cccc(C(N)=O)c2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-16-7-11-19(12-8-16)27(32(30,31)20-13-9-17(2)10-14-20)15-23(28)26-22-6-4-5-21(18(22)3)24(25)29/h4-14H,15H2,1-3H3,(H2,25,29)(H,26,28)
InChIKeyYTKHIUBOKATIJH-UHFFFAOYSA-N
XLogP3.54
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
CID 53280459
3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
CID 53280339
3-[[2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetyl]amino]-2-methylbenzamide
CID 53281172
3-[[2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
CID 53280491
N-(2,3-dimethylphenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 23883732
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 51344158
2-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126034892
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide
CID 126032170
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 51344647
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 126387507
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of 2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (CID 53279437) is 2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is Cc1ccc(N(CC(=O)Nc2cccc(C(N)=O)c2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The InChIKey is YTKHIUBOKATIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-16-7-11-19(12-8-16)27(32(30,31)20-13-9-17(2)10-14-20)15-23(28)26-22-6-4-5-21(18(22)3)24(25)29/h4-14H,15H2,1-3H3,(H2,25,29)(H,26,28).
What are the key properties of 2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 53279437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).