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

C24H34N2O4S — CID 43906385

IUPAC2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1C
InChIInChI=1S/C24H34N2O4S/c1-15(2)13-25-31(28,29)21-8-9-23(19(6)11-21)30-14-24(27)26-20(7)22-12-17(4)16(3)10-18(22)5/h8-12,15,20,25H,13-14H2,1-7H3,(H,26,27)
InChIKeyDEXUHDOJWXVMTN-UHFFFAOYSA-N
MW446.61 g/mol
LogP4.11
Rot. Bonds9

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

2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 43906385) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID43906385
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC Name2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1C
InChIInChI=1S/C24H34N2O4S/c1-15(2)13-25-31(28,29)21-8-9-23(19(6)11-21)30-14-24(27)26-20(7)22-12-17(4)16(3)10-18(22)5/h8-12,15,20,25H,13-14H2,1-7H3,(H,26,27)
InChIKeyDEXUHDOJWXVMTN-UHFFFAOYSA-N
XLogP4.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402102
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554766
2-[4-(diethylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402198
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554792
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402290
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906438
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402279
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199
N-(2-methoxyethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126385177
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3619640
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28555736
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 5001110

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 43906385) is 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1C.
What is the InChIKey of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is DEXUHDOJWXVMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-15(2)13-25-31(28,29)21-8-9-23(19(6)11-21)30-14-24(27)26-20(7)22-12-17(4)16(3)10-18(22)5/h8-12,15,20,25H,13-14H2,1-7H3,(H,26,27).
What are the key properties of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 446.61 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 43906385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).