3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

C23H22ClN3O4S — CID 53279414

IUPAC3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(N)=O)c2)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C23H22ClN3O4S/c1-15-6-10-20(11-7-15)32(30,31)27(21-13-18(24)9-8-16(21)2)14-22(28)26-19-5-3-4-17(12-19)23(25)29/h3-13H,14H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyCAXFBCHVUANNQR-UHFFFAOYSA-N
MW471.97 g/mol
LogP3.89
Rot. Bonds7

About 3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide

3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (PubChem CID 53279414) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is 3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
PubChem CID53279414
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC Name3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(N)=O)c2)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C23H22ClN3O4S/c1-15-6-10-20(11-7-15)32(30,31)27(21-13-18(24)9-8-16(21)2)14-22(28)26-19-5-3-4-17(12-19)23(25)29/h3-13H,14H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyCAXFBCHVUANNQR-UHFFFAOYSA-N
XLogP3.89
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30170588
N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 30170103
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126032037
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
N-(5-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1248067
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2279264
N-(4-bromophenyl)-2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172400
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 53279384
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034182

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide (CID 53279414) is 3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(N)=O)c2)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of 3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
The InChIKey is CAXFBCHVUANNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-15-6-10-20(11-7-15)32(30,31)27(21-13-18(24)9-8-16(21)2)14-22(28)26-19-5-3-4-17(12-19)23(25)29/h3-13H,14H2,1-2H3,(H2,25,29)(H,26,28).
What are the key properties of 3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide?
3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide has a molecular weight of 471.97 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 53279414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).