2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

C21H28N2O4S — CID 43906383

IUPAC2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C21H28N2O4S/c1-14-11-16(3)20(12-15(14)2)17(4)22-21(24)13-27-18-7-9-19(10-8-18)28(25,26)23(5)6/h7-12,17H,13H2,1-6H3,(H,22,24)
InChIKeyPTAPIIQQKKGBNX-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.12
Rot. Bonds7

About 2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 43906383) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID43906383
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C21H28N2O4S/c1-14-11-16(3)20(12-15(14)2)17(4)22-21(24)13-27-18-7-9-19(10-8-18)28(25,26)23(5)6/h7-12,17H,13H2,1-6H3,(H,22,24)
InChIKeyPTAPIIQQKKGBNX-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402019
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401837
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906315
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873509
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 55894640
2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401927
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401871
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906341
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401395
2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906817

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 43906383) is 2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)cc1C.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is PTAPIIQQKKGBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-14-11-16(3)20(12-15(14)2)17(4)22-21(24)13-27-18-7-9-19(10-8-18)28(25,26)23(5)6/h7-12,17H,13H2,1-6H3,(H,22,24).
What are the key properties of 2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 43906383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).