4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide

C20H26N2O5S — CID 110823983

IUPAC4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)CNc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-22(6-2)28(24,25)17-10-7-15(8-11-17)19(23)14-21-18-12-9-16(26-3)13-20(18)27-4/h7-13,21H,5-6,14H2,1-4H3
InChIKeyXHKBHPSXBKZRLC-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.03
Rot. Bonds10

About 4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide

4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide (PubChem CID 110823983) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide
PubChem CID110823983
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)CNc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-22(6-2)28(24,25)17-10-7-15(8-11-17)19(23)14-21-18-12-9-16(26-3)13-20(18)27-4/h7-13,21H,5-6,14H2,1-4H3
InChIKeyXHKBHPSXBKZRLC-UHFFFAOYSA-N
XLogP3.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9084136
2-[3-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 29327817
2-[4-(diethylsulfamoyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 9084037
N,N-diethyl-4-[2-(3-iodoanilino)acetyl]benzenesulfonamide
CID 110823994
4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide
CID 110823956
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyanilino)acetamide
CID 9080497
N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide
CID 110825657
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072188
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide (CID 110823983) is 4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)CNc2ccc(OC)cc2OC)cc1.
What is the InChIKey of 4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is XHKBHPSXBKZRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-22(6-2)28(24,25)17-10-7-15(8-11-17)19(23)14-21-18-12-9-16(26-3)13-20(18)27-4/h7-13,21H,5-6,14H2,1-4H3.
What are the key properties of 4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide?
4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 110823983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).