2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide

C19H19ClF3NO3S — CID 54537562

IUPAC2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)Oc1ccc(S(=O)c2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C19H19ClF3NO3S/c1-3-16(18(25)24-4-2)27-13-6-8-14(9-7-13)28(26)17-10-5-12(11-15(17)20)19(21,22)23/h5-11,16H,3-4H2,1-2H3,(H,24,25)
InChIKeyZAWHKXGTRILYSW-UHFFFAOYSA-N
MW433.88 g/mol
LogP4.82
Rot. Bonds7

About 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide

2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide (PubChem CID 54537562) has the molecular formula C19H19ClF3NO3S and a molecular weight of 433.88 g/mol. Its IUPAC name is 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide
PubChem CID54537562
Molecular FormulaC19H19ClF3NO3S
Molecular Weight433.88 g/mol
Exact Mass433.07
IUPAC Name2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)Oc1ccc(S(=O)c2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C19H19ClF3NO3S/c1-3-16(18(25)24-4-2)27-13-6-8-14(9-7-13)28(26)17-10-5-12(11-15(17)20)19(21,22)23/h5-11,16H,3-4H2,1-2H3,(H,24,25)
InChIKeyZAWHKXGTRILYSW-UHFFFAOYSA-N
XLogP4.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.88
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 53257306
N-[2-(4-chlorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 9171522
N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 155544180
N-[2-(4-chlorophenoxy)ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 155518764
2-[4-[2-Chloro-4-(trifluoromethyl)phenyl]sulfanylphenoxy]propanamide
CID 20382441
2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfanylphenoxy]-N-methylpropanamide
CID 20382479
2-[4-[2-Chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-2-ethylbutanamide
CID 20536127
(Z)-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-2-methylphenoxy]-N-methylbut-2-enamide
CID 22809382
2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-2-methylphenoxy]-N-methylbut-2-enamide
CID 54035236
Ethyl [4-[[3-chloro-4-[2-[(trifluoroacetyl)amino]-ethyl]phenyl]sulfonyl]phenoxy]acetate
CID 86593588
N-[(2R)-1-[4-(2-chloro-4-methoxyphenyl)sulfonylphenyl]propan-2-yl]-2,2,2-trifluoroacetamide
CID 88043266
N-[1-[4-(2-chloro-4-methoxyphenyl)sulfonylphenyl]propan-2-yl]-2,2,2-trifluoroacetamide
CID 90698431

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide?
The IUPAC name of 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide (CID 54537562) is 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide.
What is the SMILES notation for 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide?
The canonical SMILES for 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide is CCNC(=O)C(CC)Oc1ccc(S(=O)c2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide?
The InChIKey is ZAWHKXGTRILYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO3S/c1-3-16(18(25)24-4-2)27-13-6-8-14(9-7-13)28(26)17-10-5-12(11-15(17)20)19(21,22)23/h5-11,16H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide?
2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide has a molecular weight of 433.88 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylphenoxy]-N-ethylbutanamide is sourced from PubChem (CID 54537562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).