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

C22H30N2O4S — CID 100796845

IUPAC2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)c(C)c2)cc1C
InChIInChI=1S/C22H30N2O4S/c1-15-7-8-18(11-16(15)2)24-29(26,27)19-9-10-20(17(3)12-19)28-13-21(25)23-14-22(4,5)6/h7-12,24H,13-14H2,1-6H3,(H,23,25)
InChIKeyXFGSBPXCJKESTO-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.95
Rot. Bonds7

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

2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 100796845) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide
PubChem CID100796845
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)c(C)c2)cc1C
InChIInChI=1S/C22H30N2O4S/c1-15-7-8-18(11-16(15)2)24-29(26,27)19-9-10-20(17(3)12-19)28-13-21(25)23-14-22(4,5)6/h7-12,24H,13-14H2,1-6H3,(H,23,25)
InChIKeyXFGSBPXCJKESTO-UHFFFAOYSA-N
XLogP3.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562658
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100796843
2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100800515
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(1-methylpiperidin-4-yl)acetamide
CID 99968078
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28555736
N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 100796537
methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 3457801
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 4015513
N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394212
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126392203
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide (CID 100796845) is 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)c(C)c2)cc1C.
What is the InChIKey of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is XFGSBPXCJKESTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-15-7-8-18(11-16(15)2)24-29(26,27)19-9-10-20(17(3)12-19)28-13-21(25)23-14-22(4,5)6/h7-12,24H,13-14H2,1-6H3,(H,23,25).
What are the key properties of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide?
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 418.56 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 100796845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).