N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C25H28N2O6S — CID 55864978

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc(OC)c1OC
InChIInChI=1S/C25H28N2O6S/c1-16-7-6-8-17(2)24(16)27-34(29,30)20-11-9-19(10-12-20)26-23(28)15-18-13-21(31-3)25(33-5)22(14-18)32-4/h6-14,27H,15H2,1-5H3,(H,26,28)
InChIKeyBEYHNFZUTNUAHG-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.31
Rot. Bonds9

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 55864978) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID55864978
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc(OC)c1OC
InChIInChI=1S/C25H28N2O6S/c1-16-7-6-8-17(2)24(16)27-34(29,30)20-11-9-19(10-12-20)26-23(28)15-18-13-21(31-3)25(33-5)22(14-18)32-4/h6-14,27H,15H2,1-5H3,(H,26,28)
InChIKeyBEYHNFZUTNUAHG-UHFFFAOYSA-N
XLogP4.31
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 35742588
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26698644
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1334816
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4934132
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
N-(4-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2597337
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7914938
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 55864978) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is BEYHNFZUTNUAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-16-7-6-8-17(2)24(16)27-34(29,30)20-11-9-19(10-12-20)26-23(28)15-18-13-21(31-3)25(33-5)22(14-18)32-4/h6-14,27H,15H2,1-5H3,(H,26,28).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 484.57 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 55864978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).