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

C26H30N2O4S — CID 43906341

IUPAC2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C
InChIInChI=1S/C26H30N2O4S/c1-17-8-6-7-9-25(17)28-33(30,31)23-12-10-22(11-13-23)32-16-26(29)27-21(5)24-15-19(3)18(2)14-20(24)4/h6-15,21,28H,16H2,1-5H3,(H,27,29)
InChIKeyCTDGIUCYGUIPAA-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.98
Rot. Bonds8

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

2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 43906341) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID43906341
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C
InChIInChI=1S/C26H30N2O4S/c1-17-8-6-7-9-25(17)28-33(30,31)23-12-10-22(11-13-23)32-16-26(29)27-21(5)24-15-19(3)18(2)14-20(24)4/h6-15,21,28H,16H2,1-5H3,(H,27,29)
InChIKeyCTDGIUCYGUIPAA-UHFFFAOYSA-N
XLogP4.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401871
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906343
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906315
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401927
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401789
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553351
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906383
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401837
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5024533
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(1-phenylethyl)acetamide
CID 4580368
2-[4-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402019

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 43906341) is 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c(C(C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C.
What is the InChIKey of 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is CTDGIUCYGUIPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-17-8-6-7-9-25(17)28-33(30,31)23-12-10-22(11-13-23)32-16-26(29)27-21(5)24-15-19(3)18(2)14-20(24)4/h6-15,21,28H,16H2,1-5H3,(H,27,29).
What are the key properties of 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 43906341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).