N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide

C18H18ClF3N2O4S — CID 92649043

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-24(29(2,26)27)13-5-7-14(8-6-13)28-11-17(25)23-16-10-12(18(20,21)22)4-9-15(16)19/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyFTNSIYWXAJLYAL-UHFFFAOYSA-N
MW450.87 g/mol
LogP4.16
Rot. Bonds7

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 92649043) has the molecular formula C18H18ClF3N2O4S and a molecular weight of 450.87 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID92649043
Molecular FormulaC18H18ClF3N2O4S
Molecular Weight450.87 g/mol
Exact Mass450.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-24(29(2,26)27)13-5-7-14(8-6-13)28-11-17(25)23-16-10-12(18(20,21)22)4-9-15(16)19/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyFTNSIYWXAJLYAL-UHFFFAOYSA-N
XLogP4.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30268924
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propylphenoxy)acetamide
CID 19172179
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 126132614
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126123486
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30268918
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126397966
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 747189
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30129863
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5139046
N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130762

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide (CID 92649043) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide is CCN(c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is FTNSIYWXAJLYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O4S/c1-3-24(29(2,26)27)13-5-7-14(8-6-13)28-11-17(25)23-16-10-12(18(20,21)22)4-9-15(16)19/h4-10H,3,11H2,1-2H3,(H,23,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 450.87 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 92649043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).