N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H18F3N3O3S — CID 78958521

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)(CNC(=O)CNCC(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C9H18F3N3O3S/c1-8(2,15-19(3,17)18)5-14-7(16)4-13-6-9(10,11)12/h13,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyUASVJHMPZKNZOF-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.42
Rot. Bonds7

About N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958521) has the molecular formula C9H18F3N3O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958521
Molecular FormulaC9H18F3N3O3S
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)(CNC(=O)CNCC(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C9H18F3N3O3S/c1-8(2,15-19(3,17)18)5-14-7(16)4-13-6-9(10,11)12/h13,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyUASVJHMPZKNZOF-UHFFFAOYSA-N
XLogP-0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958521) is N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)(CNC(=O)CNCC(F)(F)F)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UASVJHMPZKNZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O3S/c1-8(2,15-19(3,17)18)5-14-7(16)4-13-6-9(10,11)12/h13,15H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 305.32 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).