N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

C17H16ClF3N2O4S — CID 30128483

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H16ClF3N2O4S/c1-23(28(2,25)26)12-4-6-13(7-5-12)27-10-16(24)22-11-3-8-15(18)14(9-11)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyMPNDACFOJOHOPJ-UHFFFAOYSA-N
MW436.84 g/mol
LogP3.77
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 30128483) has the molecular formula C17H16ClF3N2O4S and a molecular weight of 436.84 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID30128483
Molecular FormulaC17H16ClF3N2O4S
Molecular Weight436.84 g/mol
Exact Mass436.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H16ClF3N2O4S/c1-23(28(2,25)26)12-4-6-13(7-5-12)27-10-16(24)22-11-3-8-15(18)14(9-11)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyMPNDACFOJOHOPJ-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 30128970
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888572
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 99960904
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19171329
N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 99961243
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534208
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 1185679
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 19798403
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 26620158

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (CID 30128483) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is CN(c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is MPNDACFOJOHOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S/c1-23(28(2,25)26)12-4-6-13(7-5-12)27-10-16(24)22-11-3-8-15(18)14(9-11)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 436.84 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 30128483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).