2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C7H13F3N2O3S — CID 61492477

IUPAC2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)CCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-16(14,15)3-2-11-4-6(13)12-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyNQLKDNHWBAULSO-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.70
Rot. Bonds6

About 2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492477) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492477
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)CCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-16(14,15)3-2-11-4-6(13)12-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyNQLKDNHWBAULSO-UHFFFAOYSA-N
XLogP-0.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 61492477) is 2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide is CS(=O)(=O)CCNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NQLKDNHWBAULSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-16(14,15)3-2-11-4-6(13)12-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 262.25 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).