N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide

C9H18F2N2O4S — CID 104857895

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H18F2N2O4S/c1-3-4-18(16,17)13-7(2)8(15)12-5-9(10,11)6-14/h7,13-14H,3-6H2,1-2H3,(H,12,15)
InChIKeyFNWYQJUHOBDMPI-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.55
Rot. Bonds8

About N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide (PubChem CID 104857895) has the molecular formula C9H18F2N2O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide
PubChem CID104857895
Molecular FormulaC9H18F2N2O4S
Molecular Weight288.32 g/mol
Exact Mass288.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H18F2N2O4S/c1-3-4-18(16,17)13-7(2)8(15)12-5-9(10,11)6-14/h7,13-14H,3-6H2,1-2H3,(H,12,15)
InChIKeyFNWYQJUHOBDMPI-UHFFFAOYSA-N
XLogP-0.55
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide
CID 177087481
N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide
CID 177087580
2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103755834
N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915656
N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 104857205
N-(2,2-difluoro-3-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 104858316
2-acetamido-N-(2,2-difluoro-3-hydroxypropyl)-3-sulfanylpropanamide
CID 106173313
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide
CID 106176637
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 107482946
N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide
CID 113258583
3-[(2-Amino-3-hydroxypropanoyl)amino]butane-2-sulfonic acid
CID 121273278
3-[[(2S)-2-amino-3-hydroxypropanoyl]amino]butane-2-sulfonic acid
CID 139465140

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide (CID 104857895) is N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide is CCCS(=O)(=O)NC(C)C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide?
The InChIKey is FNWYQJUHOBDMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O4S/c1-3-4-18(16,17)13-7(2)8(15)12-5-9(10,11)6-14/h7,13-14H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide has a molecular weight of 288.32 g/mol, XLogP of -0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide is sourced from PubChem (CID 104857895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).