2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide

C20H26N2O4S — CID 35541901

IUPAC2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-12-13(2)15(4)20(16(5)14(12)3)27(24,25)22-18-9-7-17(8-10-18)21-19(23)11-26-6/h7-10,22H,11H2,1-6H3,(H,21,23)
InChIKeyFQEKGUFTIYNUTB-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.61
Rot. Bonds6

About 2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide

2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 35541901) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID35541901
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-12-13(2)15(4)20(16(5)14(12)3)27(24,25)22-18-9-7-17(8-10-18)21-19(23)11-26-6/h7-10,22H,11H2,1-6H3,(H,21,23)
InChIKeyFQEKGUFTIYNUTB-UHFFFAOYSA-N
XLogP3.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]benzamide
CID 30805411
N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide
CID 35542103
N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]-2-methoxyacetamide
CID 55573376
2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide
CID 35545211
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
CID 17491857
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
2-(tert-butylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 47842254
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide (CID 35541901) is 2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide is COCC(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1.
What is the InChIKey of 2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is FQEKGUFTIYNUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-12-13(2)15(4)20(16(5)14(12)3)27(24,25)22-18-9-7-17(8-10-18)21-19(23)11-26-6/h7-10,22H,11H2,1-6H3,(H,21,23).
What are the key properties of 2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide?
2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 35541901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).