N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C25H28N2O6S — CID 1204013

IUPACN-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O6S/c1-5-33-24-9-7-6-8-22(24)27(34(29,30)20-13-10-18(2)11-14-20)17-25(28)26-21-16-19(31-3)12-15-23(21)32-4/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyXPFZLVKWVNTOJQ-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.24
Rot. Bonds10

About N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1204013) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1204013
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O6S/c1-5-33-24-9-7-6-8-22(24)27(34(29,30)20-13-10-18(2)11-14-20)17-25(28)26-21-16-19(31-3)12-15-23(21)32-4/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyXPFZLVKWVNTOJQ-UHFFFAOYSA-N
XLogP4.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1363111
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 1203950
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902428
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2232080
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379
N-(2,5-dimethoxyphenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1293361
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1320752
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-ethoxyphenyl)acetamide
CID 994355
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 2942722
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210636
N-(2-ethoxyphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998705
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92681102

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1204013) is N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is XPFZLVKWVNTOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-5-33-24-9-7-6-8-22(24)27(34(29,30)20-13-10-18(2)11-14-20)17-25(28)26-21-16-19(31-3)12-15-23(21)32-4/h6-16H,5,17H2,1-4H3,(H,26,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 484.57 g/mol, XLogP of 4.24, 10 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-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1204013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).