2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

C19H21F3N2O4S — CID 132668886

IUPAC2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C19H21F3N2O4S/c1-12-8-9-17(28-3)16(10-12)24(29(4,26)27)13(2)18(25)23-15-7-5-6-14(11-15)19(20,21)22/h5-11,13H,1-4H3,(H,23,25)
InChIKeyFGVOAJMFKQWFDC-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.82
Rot. Bonds6

About 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 132668886) has the molecular formula C19H21F3N2O4S and a molecular weight of 430.45 g/mol. Its IUPAC name is 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID132668886
Molecular FormulaC19H21F3N2O4S
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC Name2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C19H21F3N2O4S/c1-12-8-9-17(28-3)16(10-12)24(29(4,26)27)13(2)18(25)23-15-7-5-6-14(11-15)19(20,21)22/h5-11,13H,1-4H3,(H,23,25)
InChIKeyFGVOAJMFKQWFDC-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
CID 95119251
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1095260
N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132663881
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 132665763
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide
CID 132662721
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132659229
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132673940
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561113
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1248291
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133203818
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100573245
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133229286

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 132668886) is 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is COc1ccc(C)cc1N(C(C)C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FGVOAJMFKQWFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4S/c1-12-8-9-17(28-3)16(10-12)24(29(4,26)27)13(2)18(25)23-15-7-5-6-14(11-15)19(20,21)22/h5-11,13H,1-4H3,(H,23,25).
What are the key properties of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 430.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 132668886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).