N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

C19H20ClF3N2O4S — CID 30268924

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C19H20ClF3N2O4S/c1-12(2)29-15-7-5-14(6-8-15)25(30(3,27)28)11-18(26)24-17-10-13(19(21,22)23)4-9-16(17)20/h4-10,12H,11H2,1-3H3,(H,24,26)
InChIKeyPTHBWULNEVHUBX-UHFFFAOYSA-N
MW464.89 g/mol
LogP4.55
Rot. Bonds7

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (PubChem CID 30268924) has the molecular formula C19H20ClF3N2O4S and a molecular weight of 464.89 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
PubChem CID30268924
Molecular FormulaC19H20ClF3N2O4S
Molecular Weight464.89 g/mol
Exact Mass464.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C19H20ClF3N2O4S/c1-12(2)29-15-7-5-14(6-8-15)25(30(3,27)28)11-18(26)24-17-10-13(19(21,22)23)4-9-16(17)20/h4-10,12H,11H2,1-3H3,(H,24,26)
InChIKeyPTHBWULNEVHUBX-UHFFFAOYSA-N
XLogP4.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 126132614
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 92649043
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30268918
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147795
N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30264709
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92664037
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126123486
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160336
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126270431
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide
CID 22193721
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide
CID 30259566
N-[(2,4-dichlorophenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30263695

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (CID 30268924) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The InChIKey is PTHBWULNEVHUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O4S/c1-12(2)29-15-7-5-14(6-8-15)25(30(3,27)28)11-18(26)24-17-10-13(19(21,22)23)4-9-16(17)20/h4-10,12H,11H2,1-3H3,(H,24,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide has a molecular weight of 464.89 g/mol, XLogP of 4.55, 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-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 30268924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).