N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C19H24N2O6S — CID 1100065

IUPACN-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C19H24N2O6S/c1-5-27-18-9-7-6-8-16(18)21(28(4,23)24)13-19(22)20-15-12-14(25-2)10-11-17(15)26-3/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyILUXQMCHWTVZNJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.51
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1100065) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1100065
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C19H24N2O6S/c1-5-27-18-9-7-6-8-16(18)21(28(4,23)24)13-19(22)20-15-12-14(25-2)10-11-17(15)26-3/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyILUXQMCHWTVZNJ-UHFFFAOYSA-N
XLogP2.51
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 16309134
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CID 655700
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CID 1149662
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N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 137353879
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CID 3151136

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 1100065) is N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(C)(=O)=O.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is ILUXQMCHWTVZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-5-27-18-9-7-6-8-16(18)21(28(4,23)24)13-19(22)20-15-12-14(25-2)10-11-17(15)26-3/h6-12H,5,13H2,1-4H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1100065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).