N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide

C7H13F3N2O3S — CID 103307763

IUPACN-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)S(=O)(=O)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-5(2)16(14,15)12-6(13)3-11-4-7(8,9)10/h5,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyUHLKXLOWSMFPCT-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.01
Rot. Bonds5

About N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide

N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103307763) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103307763
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC NameN-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)S(=O)(=O)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-5(2)16(14,15)12-6(13)3-11-4-7(8,9)10/h5,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyUHLKXLOWSMFPCT-UHFFFAOYSA-N
XLogP-0.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 103307763) is N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)S(=O)(=O)NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UHLKXLOWSMFPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-5(2)16(14,15)12-6(13)3-11-4-7(8,9)10/h5,11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 262.25 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103307763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).