2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide

C25H28N2O4S — CID 4664363

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCCOCc2ccccc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C25H28N2O4S/c1-20-13-14-23(17-21(20)2)27(32(29,30)24-11-7-4-8-12-24)18-25(28)26-15-16-31-19-22-9-5-3-6-10-22/h3-14,17H,15-16,18-19H2,1-2H3,(H,26,28)
InChIKeyJVYAVPKKFTZPBK-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.83
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide (PubChem CID 4664363) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide
PubChem CID4664363
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCCOCc2ccccc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C25H28N2O4S/c1-20-13-14-23(17-21(20)2)27(32(29,30)24-11-7-4-8-12-24)18-25(28)26-15-16-31-19-22-9-5-3-6-10-22/h3-14,17H,15-16,18-19H2,1-2H3,(H,26,28)
InChIKeyJVYAVPKKFTZPBK-UHFFFAOYSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345394
N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 91671580
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide
CID 51345236
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100571114
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 51345251
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide
CID 30169183
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,5-dimethylphenyl)acetamide
CID 51345250
2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]benzoate
CID 2280082
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-ethoxypropyl)acetamide
CID 126189051
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-ethylphenyl)acetamide
CID 30169297
2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]-N-propylbenzamide
CID 21372646
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
CID 21212069

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide (CID 4664363) is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide is Cc1ccc(N(CC(=O)NCCOCc2ccccc2)S(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide?
The InChIKey is JVYAVPKKFTZPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-20-13-14-23(17-21(20)2)27(32(29,30)24-11-7-4-8-12-24)18-25(28)26-15-16-31-19-22-9-5-3-6-10-22/h3-14,17H,15-16,18-19H2,1-2H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide is sourced from PubChem (CID 4664363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).