(2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide

C23H28F3N3O4S — CID 71104007

IUPAC(2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide
SMILESCNC(=O)[C@H](CN(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O)N1CCCCC1
InChIInChI=1S/C23H28F3N3O4S/c1-27-22(30)21(28-14-4-3-5-15-28)16-29(34(2,31)32)18-8-12-20(13-9-18)33-19-10-6-17(7-11-19)23(24,25)26/h6-13,21H,3-5,14-16H2,1-2H3,(H,27,30)/t21-/m0/s1
InChIKeyVFSBKEHKFCQICH-NRFANRHFSA-N
MW499.56 g/mol
LogP3.86
Rot. Bonds8

About (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide

(2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide (PubChem CID 71104007) has the molecular formula C23H28F3N3O4S and a molecular weight of 499.56 g/mol. Its IUPAC name is (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide
PubChem CID71104007
Molecular FormulaC23H28F3N3O4S
Molecular Weight499.56 g/mol
Exact Mass499.18
IUPAC Name(2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide
SMILESCNC(=O)[C@H](CN(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O)N1CCCCC1
InChIInChI=1S/C23H28F3N3O4S/c1-27-22(30)21(28-14-4-3-5-15-28)16-29(34(2,31)32)18-8-12-20(13-9-18)33-19-10-6-17(7-11-19)23(24,25)26/h6-13,21H,3-5,14-16H2,1-2H3,(H,27,30)/t21-/m0/s1
InChIKeyVFSBKEHKFCQICH-NRFANRHFSA-N
XLogP3.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(1,3-dihydroisoindol-2-yl)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide
CID 71104008
(2S)-N-hydroxy-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-(propan-2-ylamino)propanamide
CID 24952678
(2S)-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-morpholin-4-ylpropanoic acid;(2S)-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-morpholin-4-yl-N-trityloxypropanamide
CID 162164691
(2S)-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide
CID 69317739
(2S)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide
CID 69323155
N-(2-oxo-2-piperidin-1-ylethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50946136
2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 59704806
1-[(1S)-2-methylsulfonyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 89478253
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30169097
N-(2-morpholin-4-yl-2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50944502
(2S)-2-anilino-N-hydroxy-3-[4-(4-iodophenoxy)-N-methylsulfonylanilino]propanamide
CID 143656789
N-[(2S)-1-(hydroxyamino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 24955859

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide?
The IUPAC name of (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide (CID 71104007) is (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide is CNC(=O)[C@H](CN(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O)N1CCCCC1.
What is the InChIKey of (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide?
The InChIKey is VFSBKEHKFCQICH-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28F3N3O4S/c1-27-22(30)21(28-14-4-3-5-15-28)16-29(34(2,31)32)18-8-12-20(13-9-18)33-19-10-6-17(7-11-19)23(24,25)26/h6-13,21H,3-5,14-16H2,1-2H3,(H,27,30)/t21-/m0/s1.
What are the key properties of (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide?
(2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide has a molecular weight of 499.56 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-3-[N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]anilino]-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 71104007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).