N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H20F3N3O3S — CID 78958505

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(CCCNC(=O)CNCC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C10H20F3N3O3S/c1-3-16(20(2,18)19)6-4-5-15-9(17)7-14-8-10(11,12)13/h14H,3-8H2,1-2H3,(H,15,17)
InChIKeyQZYKDHWMLNMPOS-UHFFFAOYSA-N
MW319.35 g/mol
LogP-0.07
Rot. Bonds9

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958505) has the molecular formula C10H20F3N3O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958505
Molecular FormulaC10H20F3N3O3S
Molecular Weight319.35 g/mol
Exact Mass319.12
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(CCCNC(=O)CNCC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C10H20F3N3O3S/c1-3-16(20(2,18)19)6-4-5-15-9(17)7-14-8-10(11,12)13/h14H,3-8H2,1-2H3,(H,15,17)
InChIKeyQZYKDHWMLNMPOS-UHFFFAOYSA-N
XLogP-0.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 5-0.07
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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Related Compounds

N~1~-isobutyl-N~2~-methyl-N~2~-(methylsulfonyl)glycinamide
CID 30464341
N-(2-methylpropyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]-methylsulfonylamino]acetamide
CID 40067441
2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425392
N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425423
2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide
CID 130303702
2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 31872713
2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 32230663
1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 43602789
2-[4-(methanesulfonamido)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47134688
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide
CID 51082889
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958505) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide is CCN(CCCNC(=O)CNCC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QZYKDHWMLNMPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O3S/c1-3-16(20(2,18)19)6-4-5-15-9(17)7-14-8-10(11,12)13/h14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 319.35 g/mol, XLogP of -0.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).