(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide

C13H17F3N2O4S — CID 38908113

IUPAC(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H17F3N2O4S/c1-9(22-8-13(14,15)16)12(19)17-10-4-6-11(7-5-10)23(20,21)18(2)3/h4-7,9H,8H2,1-3H3,(H,17,19)/t9-/m1/s1
InChIKeyJDNKZLUGJHLBHI-SECBINFHSA-N
MW354.35 g/mol
LogP1.84
Rot. Bonds6

About (2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 38908113) has the molecular formula C13H17F3N2O4S and a molecular weight of 354.35 g/mol. Its IUPAC name is (2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID38908113
Molecular FormulaC13H17F3N2O4S
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Name(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H17F3N2O4S/c1-9(22-8-13(14,15)16)12(19)17-10-4-6-11(7-5-10)23(20,21)18(2)3/h4-7,9H,8H2,1-3H3,(H,17,19)/t9-/m1/s1
InChIKeyJDNKZLUGJHLBHI-SECBINFHSA-N
XLogP1.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide
CID 42960594
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 4157932
N-(4-pyrrolidin-1-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 42960613
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944
(2S)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 97244606
(2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 97244607
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874093
2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 55316848
3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 106111504
(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 38908113) is (2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide is C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of (2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JDNKZLUGJHLBHI-SECBINFHSA-N. The full InChI is InChI=1S/C13H17F3N2O4S/c1-9(22-8-13(14,15)16)12(19)17-10-4-6-11(7-5-10)23(20,21)18(2)3/h4-7,9H,8H2,1-3H3,(H,17,19)/t9-/m1/s1.
What are the key properties of (2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 354.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 38908113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).