(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C19H22F3N3O5S2 — CID 55940266

IUPAC(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H22F3N3O5S2/c1-13(24-31(27,28)17-11-7-5-9-15(17)19(20,21)22)18(26)23-12-14-8-4-6-10-16(14)32(29,30)25(2)3/h4-11,13,24H,12H2,1-3H3,(H,23,26)/t13-/m0/s1
InChIKeyOPFMZNQFDUQOIG-ZDUSSCGKSA-N
MW493.53 g/mol
LogP1.94
Rot. Bonds8

About (2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 55940266) has the molecular formula C19H22F3N3O5S2 and a molecular weight of 493.53 g/mol. Its IUPAC name is (2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID55940266
Molecular FormulaC19H22F3N3O5S2
Molecular Weight493.53 g/mol
Exact Mass493.10
IUPAC Name(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H22F3N3O5S2/c1-13(24-31(27,28)17-11-7-5-9-15(17)19(20,21)22)18(26)23-12-14-8-4-6-10-16(14)32(29,30)25(2)3/h4-11,13,24H,12H2,1-3H3,(H,23,26)/t13-/m0/s1
InChIKeyOPFMZNQFDUQOIG-ZDUSSCGKSA-N
XLogP1.94
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17482632
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55941738
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55953589
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55940569
(2S)-N-[2-(4-fluorophenoxy)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37361314
(2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55953762
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55936282
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55495204
N-methyl-N-[(2-nitrophenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 46399248
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-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 55940266) is (2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of (2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is OPFMZNQFDUQOIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22F3N3O5S2/c1-13(24-31(27,28)17-11-7-5-9-15(17)19(20,21)22)18(26)23-12-14-8-4-6-10-16(14)32(29,30)25(2)3/h4-11,13,24H,12H2,1-3H3,(H,23,26)/t13-/m0/s1.
What are the key properties of (2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 493.53 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55940266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).