N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C14H19F3N2O3S — CID 78766636

IUPACN-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O3S/c1-13(2,3)18-12(20)9-19(4)23(21,22)11-8-6-5-7-10(11)14(15,16)17/h5-8H,9H2,1-4H3,(H,18,20)
InChIKeyVRFYEIDRXNWAMC-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.24
Rot. Bonds4

About N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 78766636) has the molecular formula C14H19F3N2O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID78766636
Molecular FormulaC14H19F3N2O3S
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC NameN-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O3S/c1-13(2,3)18-12(20)9-19(4)23(21,22)11-8-6-5-7-10(11)14(15,16)17/h5-8H,9H2,1-4H3,(H,18,20)
InChIKeyVRFYEIDRXNWAMC-UHFFFAOYSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 78766636) is N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is VRFYEIDRXNWAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3S/c1-13(2,3)18-12(20)9-19(4)23(21,22)11-8-6-5-7-10(11)14(15,16)17/h5-8H,9H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 352.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 78766636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).