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

C22H30N2O4S — CID 43906817

IUPAC2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCCN(c1ccc(OCC(=O)NC(C)c2cc(C)c(C)cc2C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-7-24(29(6,26)27)19-8-10-20(11-9-19)28-14-22(25)23-18(5)21-13-16(3)15(2)12-17(21)4/h8-13,18H,7,14H2,1-6H3,(H,23,25)
InChIKeyTZMMFZNPDWRFMF-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.65
Rot. Bonds8

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

2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 43906817) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID43906817
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCCN(c1ccc(OCC(=O)NC(C)c2cc(C)c(C)cc2C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-7-24(29(6,26)27)19-8-10-20(11-9-19)28-14-22(25)23-18(5)21-13-16(3)15(2)12-17(21)4/h8-13,18H,7,14H2,1-6H3,(H,23,25)
InChIKeyTZMMFZNPDWRFMF-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30463931
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30463949
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide
CID 125080189
2-[4-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402019
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 28561063
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906383
N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43874356
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125084920
2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906315
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 43895647

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 43906817) is 2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is CCN(c1ccc(OCC(=O)NC(C)c2cc(C)c(C)cc2C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is TZMMFZNPDWRFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-7-24(29(6,26)27)19-8-10-20(11-9-19)28-14-22(25)23-18(5)21-13-16(3)15(2)12-17(21)4/h8-13,18H,7,14H2,1-6H3,(H,23,25).
What are the key properties of 2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 418.56 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 43906817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).