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

C18H19F3N2O5S — CID 125072382

IUPAC(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCOc1cccc(N([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H19F3N2O5S/c1-12(23(29(3,25)26)14-5-4-6-16(11-14)27-2)17(24)22-13-7-9-15(10-8-13)28-18(19,20)21/h4-12H,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyAAQDNWFZPQBRNK-GFCCVEGCSA-N
MW432.42 g/mol
LogP3.39
Rot. Bonds7

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

(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 125072382) has the molecular formula C18H19F3N2O5S and a molecular weight of 432.42 g/mol. Its IUPAC name is (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID125072382
Molecular FormulaC18H19F3N2O5S
Molecular Weight432.42 g/mol
Exact Mass432.10
IUPAC Name(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCOc1cccc(N([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H19F3N2O5S/c1-12(23(29(3,25)26)14-5-4-6-16(11-14)27-2)17(24)22-13-7-9-15(10-8-13)28-18(19,20)21/h4-12H,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyAAQDNWFZPQBRNK-GFCCVEGCSA-N
XLogP3.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133168887
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166604
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 125075043
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166605
N-(1,3-benzodioxol-5-yl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132659567
2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 132673880
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1095260
2-(4-ethyl-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 132656595
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132656635
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154
(2R)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 125072382) is (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide is COc1cccc(N([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is AAQDNWFZPQBRNK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N2O5S/c1-12(23(29(3,25)26)14-5-4-6-16(11-14)27-2)17(24)22-13-7-9-15(10-8-13)28-18(19,20)21/h4-12H,1-3H3,(H,22,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 432.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 125072382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).