2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide

C20H27N3O4S — CID 37218709

IUPAC2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide
SMILESCCOc1ccc(NCC(=O)N(CC)c2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H27N3O4S/c1-5-23(17-10-8-7-9-11-17)20(24)15-21-16-12-13-18(27-6-2)19(14-16)28(25,26)22(3)4/h7-14,21H,5-6,15H2,1-4H3
InChIKeyZQQZRJQHQYOPKG-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.80
Rot. Bonds9

About 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide

2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide (PubChem CID 37218709) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide
PubChem CID37218709
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide
SMILESCCOc1ccc(NCC(=O)N(CC)c2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H27N3O4S/c1-5-23(17-10-8-7-9-11-17)20(24)15-21-16-12-13-18(27-6-2)19(14-16)28(25,26)22(3)4/h7-14,21H,5-6,15H2,1-4H3
InChIKeyZQQZRJQHQYOPKG-UHFFFAOYSA-N
XLogP2.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.80
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

2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-phenyl-N-prop-2-enylacetamide
CID 25333155
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide
CID 36587541
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide
CID 55626665
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55756894
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide
CID 55565700
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
2-(3-acetamidoanilino)-N-ethyl-N-phenylacetamide
CID 37176169

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide (CID 37218709) is 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide is CCOc1ccc(NCC(=O)N(CC)c2ccccc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide?
The InChIKey is ZQQZRJQHQYOPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-5-23(17-10-8-7-9-11-17)20(24)15-21-16-12-13-18(27-6-2)19(14-16)28(25,26)22(3)4/h7-14,21H,5-6,15H2,1-4H3.
What are the key properties of 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide?
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide has a molecular weight of 405.52 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 37218709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).