N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide

C25H28N2O6S — CID 22304331

IUPACN-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
SMILESCCOc1c(NCC(=O)Nc2ccc(OC)c(OC)c2)cccc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O6S/c1-5-33-25-20(7-6-8-23(25)34(29,30)19-12-9-17(2)10-13-19)26-16-24(28)27-18-11-14-21(31-3)22(15-18)32-4/h6-15,26H,5,16H2,1-4H3,(H,27,28)
InChIKeyZLKXBQIVCPMMSB-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.29
Rot. Bonds10

About N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide

N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide (PubChem CID 22304331) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
PubChem CID22304331
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
SMILESCCOc1c(NCC(=O)Nc2ccc(OC)c(OC)c2)cccc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O6S/c1-5-33-25-20(7-6-8-23(25)34(29,30)19-12-9-17(2)10-13-19)26-16-24(28)27-18-11-14-21(31-3)22(15-18)32-4/h6-15,26H,5,16H2,1-4H3,(H,27,28)
InChIKeyZLKXBQIVCPMMSB-UHFFFAOYSA-N
XLogP4.29
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304005
2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide
CID 22304312
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418
2-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621
2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304744
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
CID 22304342
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-ethoxy-3-methylsulfonylanilino)acetamide
CID 22304961
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 112999332
2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304735

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide (CID 22304331) is N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide is CCOc1c(NCC(=O)Nc2ccc(OC)c(OC)c2)cccc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
The InChIKey is ZLKXBQIVCPMMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-5-33-25-20(7-6-8-23(25)34(29,30)19-12-9-17(2)10-13-19)26-16-24(28)27-18-11-14-21(31-3)22(15-18)32-4/h6-15,26H,5,16H2,1-4H3,(H,27,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide has a molecular weight of 484.57 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 22304331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).