N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide

C25H28N2O4S — CID 22306767

IUPACN-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
SMILESCCOc1ccc(NCC(=O)N(C)Cc2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H28N2O4S/c1-4-31-21-12-15-23(24(16-21)32(29,30)22-13-10-19(2)11-14-22)26-17-25(28)27(3)18-20-8-6-5-7-9-20/h5-16,26H,4,17-18H2,1-3H3
InChIKeyBZSUOYZWOAZTQG-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.30
Rot. Bonds9

About N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide

N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide (PubChem CID 22306767) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
PubChem CID22306767
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
SMILESCCOc1ccc(NCC(=O)N(C)Cc2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H28N2O4S/c1-4-31-21-12-15-23(24(16-21)32(29,30)22-13-10-19(2)11-14-22)26-17-25(28)27(3)18-20-8-6-5-7-9-20/h5-16,26H,4,17-18H2,1-3H3
InChIKeyBZSUOYZWOAZTQG-UHFFFAOYSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22304368
N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304114
N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide
CID 54824566
N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304310
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590209
N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821466
(4-methylphenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20850942
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
N-benzyl-N-methyl-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54824074
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide (CID 22306767) is N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide is CCOc1ccc(NCC(=O)N(C)Cc2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide?
The InChIKey is BZSUOYZWOAZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-31-21-12-15-23(24(16-21)32(29,30)22-13-10-19(2)11-14-22)26-17-25(28)27(3)18-20-8-6-5-7-9-20/h5-16,26H,4,17-18H2,1-3H3.
What are the key properties of N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide?
N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide has a molecular weight of 452.58 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide is sourced from PubChem (CID 22306767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).