(2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C21H24F3N3O4S — CID 55938707

IUPAC(2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O4S/c1-4-19(28)26-16-11-9-15(10-12-16)13(2)25-20(29)14(3)27-32(30,31)18-8-6-5-7-17(18)21(22,23)24/h5-14,27H,4H2,1-3H3,(H,25,29)(H,26,28)/t13?,14-/m0/s1
InChIKeyLTGPBLQTEGKHAZ-KZUDCZAMSA-N
MW471.50 g/mol
LogP3.60
Rot. Bonds8

About (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

(2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 55938707) has the molecular formula C21H24F3N3O4S and a molecular weight of 471.50 g/mol. Its IUPAC name is (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID55938707
Molecular FormulaC21H24F3N3O4S
Molecular Weight471.50 g/mol
Exact Mass471.14
IUPAC Name(2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O4S/c1-4-19(28)26-16-11-9-15(10-12-16)13(2)25-20(29)14(3)27-32(30,31)18-8-6-5-7-17(18)21(22,23)24/h5-14,27H,4H2,1-3H3,(H,25,29)(H,26,28)/t13?,14-/m0/s1
InChIKeyLTGPBLQTEGKHAZ-KZUDCZAMSA-N
XLogP3.60
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[1-(4-sulfamoylphenyl)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55936658
(2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55938130
N-naphthalen-2-yl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 166190909
N-[4-[1-[(2-phenylphenyl)sulfonylamino]ethyl]phenyl]propanamide
CID 55681966
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17482632
[2-(3,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2432801
N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide
CID 43001318
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 35026880
N-[(2S)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 30132868

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 55938707) is (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CCC(=O)Nc1ccc(C(C)NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is LTGPBLQTEGKHAZ-KZUDCZAMSA-N. The full InChI is InChI=1S/C21H24F3N3O4S/c1-4-19(28)26-16-11-9-15(10-12-16)13(2)25-20(29)14(3)27-32(30,31)18-8-6-5-7-17(18)21(22,23)24/h5-14,27H,4H2,1-3H3,(H,25,29)(H,26,28)/t13?,14-/m0/s1.
What are the key properties of (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 471.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55938707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).