N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide

C18H18ClF3N2O4S — CID 30268918

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1cccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-28-14-6-4-5-13(10-14)24(29(2,26)27)11-17(25)23-16-9-12(18(20,21)22)7-8-15(16)19/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyUASAKGDMTZIDNW-UHFFFAOYSA-N
MW450.87 g/mol
LogP4.16
Rot. Bonds7

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 30268918) 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-(3-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID30268918
Molecular FormulaC18H18ClF3N2O4S
Molecular Weight450.87 g/mol
Exact Mass450.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1cccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-28-14-6-4-5-13(10-14)24(29(2,26)27)11-17(25)23-16-9-12(18(20,21)22)7-8-15(16)19/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyUASAKGDMTZIDNW-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-(2,3-dichlorophenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30270996
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 126132614
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30268924
N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30264909
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126123486
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 92649043
N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147795
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1336235

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide (CID 30268918) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1cccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is UASAKGDMTZIDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O4S/c1-3-28-14-6-4-5-13(10-14)24(29(2,26)27)11-17(25)23-16-9-12(18(20,21)22)7-8-15(16)19/h4-10H,3,11H2,1-2H3,(H,23,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)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-(3-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30268918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).