N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide

C10H19F3N2O4S — CID 103915656

IUPACN-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-3-6-20(18,19)14-8(2)9(17)15(4-5-16)7-10(11,12)13/h8,14,16H,3-7H2,1-2H3
InChIKeyWUJHANKPHVMUKS-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.09
Rot. Bonds8

About N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide

N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103915656) has the molecular formula C10H19F3N2O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103915656
Molecular FormulaC10H19F3N2O4S
Molecular Weight320.33 g/mol
Exact Mass320.10
IUPAC NameN-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-3-6-20(18,19)14-8(2)9(17)15(4-5-16)7-10(11,12)13/h8,14,16H,3-7H2,1-2H3
InChIKeyWUJHANKPHVMUKS-UHFFFAOYSA-N
XLogP0.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 103915656) is N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide is CCCS(=O)(=O)NC(C)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WUJHANKPHVMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O4S/c1-3-6-20(18,19)14-8(2)9(17)15(4-5-16)7-10(11,12)13/h8,14,16H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 320.33 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103915656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).