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

C23H24N2O4S — CID 1013137

IUPACN-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c1
InChIInChI=1S/C23H24N2O4S/c1-16-12-17(2)14-20(13-16)25-30(27,28)21-10-8-19(9-11-21)24-23(26)15-29-22-7-5-4-6-18(22)3/h4-14,25H,15H2,1-3H3,(H,24,26)
InChIKeyNMGHJTKLLCWPOS-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.43
Rot. Bonds7

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

N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 1013137) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID1013137
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c1
InChIInChI=1S/C23H24N2O4S/c1-16-12-17(2)14-20(13-16)25-30(27,28)21-10-8-19(9-11-21)24-23(26)15-29-22-7-5-4-6-18(22)3/h4-14,25H,15H2,1-3H3,(H,24,26)
InChIKeyNMGHJTKLLCWPOS-UHFFFAOYSA-N
XLogP4.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
2-(4-bromo-2-tert-butylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17051609
2-(2-methylphenoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 2711258
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
2-(2-chlorophenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1014101
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
2-(2-butan-2-ylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 2953225
N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553530
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide (CID 1013137) is N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c1.
What is the InChIKey of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is NMGHJTKLLCWPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-16-12-17(2)14-20(13-16)25-30(27,28)21-10-8-19(9-11-21)24-23(26)15-29-22-7-5-4-6-18(22)3/h4-14,25H,15H2,1-3H3,(H,24,26).
What are the key properties of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 424.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1013137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).