(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

C18H19F3N2O4S — CID 1095260

IUPAC(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-12(17(24)22-14-6-4-5-13(11-14)18(19,20)21)23(28(3,25)26)15-7-9-16(27-2)10-8-15/h4-12H,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyXQNJLTQXMRQAMH-GFCCVEGCSA-N
MW416.42 g/mol
LogP3.51
Rot. Bonds6

About (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 1095260) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID1095260
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-12(17(24)22-14-6-4-5-13(11-14)18(19,20)21)23(28(3,25)26)15-7-9-16(27-2)10-8-15/h4-12H,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyXQNJLTQXMRQAMH-GFCCVEGCSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 132668886
(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1131201
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
2-(4-ethyl-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 132656595
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 126414588
(2S)-N-(4-iodophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998779
N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 2899883
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 125072382
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1297089
2-(4-methoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 43882438
(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 1095260) is (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is COc1ccc(N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XQNJLTQXMRQAMH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-12(17(24)22-14-6-4-5-13(11-14)18(19,20)21)23(28(3,25)26)15-7-9-16(27-2)10-8-15/h4-12H,1-3H3,(H,22,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 416.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 1095260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).