2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

C7H14F3N3O3S — CID 54961740

IUPAC2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)NCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-17(15,16)13-3-2-11-4-6(14)12-5-7(8,9)10/h11,13H,2-5H2,1H3,(H,12,14)
InChIKeyCASGXDQJQCKILN-UHFFFAOYSA-N
MW277.27 g/mol
LogP-1.20
Rot. Bonds7

About 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54961740) has the molecular formula C7H14F3N3O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54961740
Molecular FormulaC7H14F3N3O3S
Molecular Weight277.27 g/mol
Exact Mass277.07
IUPAC Name2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)NCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-17(15,16)13-3-2-11-4-6(14)12-5-7(8,9)10/h11,13H,2-5H2,1H3,(H,12,14)
InChIKeyCASGXDQJQCKILN-UHFFFAOYSA-N
XLogP-1.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
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-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 54961740) is 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is CS(=O)(=O)NCCNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CASGXDQJQCKILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O3S/c1-17(15,16)13-3-2-11-4-6(14)12-5-7(8,9)10/h11,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 277.27 g/mol, XLogP of -1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54961740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).