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

C7H14F3N3O3S — CID 78958022

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

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

N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958022) has the molecular formula C7H14F3N3O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958022
Molecular FormulaC7H14F3N3O3S
Molecular Weight277.27 g/mol
Exact Mass277.07
IUPAC NameN-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCS(=O)(=O)NCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-17(15,16)13-3-2-12-6(14)4-11-5-7(8,9)10/h11,13H,2-5H2,1H3,(H,12,14)
InChIKeyXETLZWWCFJDXRT-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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Related Compounds

4-(Methylsulfonyl)piperazin-2-one
CID 13190468
N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425423
N-(2,2-difluoroethyl)-2-[propan-2-yl(sulfamoyl)amino]acetamide
CID 167049013
N-(2,2-difluoroethyl)-2-[methyl(sulfamoyl)amino]acetamide
CID 167049415
2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 31872713
1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 43602789
1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 54903787
2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961740
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55257321
1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 60894398
1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 60896021
2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61354870

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958022) is N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CS(=O)(=O)NCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is XETLZWWCFJDXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O3S/c1-17(15,16)13-3-2-12-6(14)4-11-5-7(8,9)10/h11,13H,2-5H2,1H3,(H,12,14).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)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 N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).