(2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C19H20F3N3O5S — CID 55938130

IUPAC(2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O5S/c1-12(25-31(28,29)16-6-4-3-5-15(16)19(20,21)22)18(27)24-14-9-7-13(8-10-14)23-17(26)11-30-2/h3-10,12,25H,11H2,1-2H3,(H,23,26)(H,24,27)/t12-/m0/s1
InChIKeyQBODASGWFMVGFS-LBPRGKRZSA-N
MW459.45 g/mol
LogP2.60
Rot. Bonds8

About (2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

(2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 55938130) has the molecular formula C19H20F3N3O5S and a molecular weight of 459.45 g/mol. Its IUPAC name is (2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID55938130
Molecular FormulaC19H20F3N3O5S
Molecular Weight459.45 g/mol
Exact Mass459.11
IUPAC Name(2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O5S/c1-12(25-31(28,29)16-6-4-3-5-15(16)19(20,21)22)18(27)24-14-9-7-13(8-10-14)23-17(26)11-30-2/h3-10,12,25H,11H2,1-2H3,(H,23,26)(H,24,27)/t12-/m0/s1
InChIKeyQBODASGWFMVGFS-LBPRGKRZSA-N
XLogP2.60
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55938707
N-naphthalen-2-yl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 166190909
[2-(3,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2432801
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 35026880
(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37244583
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 2551031
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17482632
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849406
2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17050661
(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 35568353
N-(1H-benzimidazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 42895522

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 55938130) is (2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is COCC(=O)Nc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of (2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is QBODASGWFMVGFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20F3N3O5S/c1-12(25-31(28,29)16-6-4-3-5-15(16)19(20,21)22)18(27)24-14-9-7-13(8-10-14)23-17(26)11-30-2/h3-10,12,25H,11H2,1-2H3,(H,23,26)(H,24,27)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 459.45 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55938130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).