N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O3S — CID 78884589

IUPACN-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C10H19F3N2O3S/c1-4-5-6-15(8-10(11,12)13)9(16)7-14(2)19(3,17)18/h4-8H2,1-3H3
InChIKeyZTPYVSBBCAWDKS-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.07
Rot. Bonds7

About N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78884589) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78884589
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC NameN-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C10H19F3N2O3S/c1-4-5-6-15(8-10(11,12)13)9(16)7-14(2)19(3,17)18/h4-8H2,1-3H3
InChIKeyZTPYVSBBCAWDKS-UHFFFAOYSA-N
XLogP1.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 78884589) is N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZTPYVSBBCAWDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-4-5-6-15(8-10(11,12)13)9(16)7-14(2)19(3,17)18/h4-8H2,1-3H3.
What are the key properties of N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 304.33 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78884589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).