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

C19H19F5N2O4S — CID 55936282

IUPAC(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F5N2O4S/c1-12(26-31(28,29)16-5-3-2-4-15(16)19(22,23)24)17(27)25-11-10-13-6-8-14(9-7-13)30-18(20)21/h2-9,12,18,26H,10-11H2,1H3,(H,25,27)/t12-/m0/s1
InChIKeyKPEOIROPDOLOEY-LBPRGKRZSA-N
MW466.43 g/mol
LogP3.33
Rot. Bonds9

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

(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 55936282) has the molecular formula C19H19F5N2O4S and a molecular weight of 466.43 g/mol. Its IUPAC name is (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID55936282
Molecular FormulaC19H19F5N2O4S
Molecular Weight466.43 g/mol
Exact Mass466.10
IUPAC Name(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F5N2O4S/c1-12(26-31(28,29)16-5-3-2-4-15(16)19(22,23)24)17(27)25-11-10-13-6-8-14(9-7-13)30-18(20)21/h2-9,12,18,26H,10-11H2,1H3,(H,25,27)/t12-/m0/s1
InChIKeyKPEOIROPDOLOEY-LBPRGKRZSA-N
XLogP3.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17482632
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55940569
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 39794775
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55940266
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55953589
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37210962
5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
CID 104684782

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 55936282) is (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is KPEOIROPDOLOEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19F5N2O4S/c1-12(26-31(28,29)16-5-3-2-4-15(16)19(22,23)24)17(27)25-11-10-13-6-8-14(9-7-13)30-18(20)21/h2-9,12,18,26H,10-11H2,1H3,(H,25,27)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 466.43 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55936282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).