N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide

C13H13F3N2O3S — CID 13175476

IUPACN-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
SMILESC#CCN(C)C(=O)Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H13F3N2O3S/c1-3-8-18(2)12(19)9-10-6-4-5-7-11(10)17-22(20,21)13(14,15)16/h1,4-7,17H,8-9H2,2H3
InChIKeyPZNHZQLAFBOSNW-UHFFFAOYSA-N
MW334.32 g/mol
LogP1.58
Rot. Bonds5

About N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide

N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide (PubChem CID 13175476) has the molecular formula C13H13F3N2O3S and a molecular weight of 334.32 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
PubChem CID13175476
Molecular FormulaC13H13F3N2O3S
Molecular Weight334.32 g/mol
Exact Mass334.06
IUPAC NameN-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
SMILESC#CCN(C)C(=O)Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H13F3N2O3S/c1-3-8-18(2)12(19)9-10-6-4-5-7-11(10)17-22(20,21)13(14,15)16/h1,4-7,17H,8-9H2,2H3
InChIKeyPZNHZQLAFBOSNW-UHFFFAOYSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide (CID 13175476) is N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide is C#CCN(C)C(=O)Cc1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide?
The InChIKey is PZNHZQLAFBOSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S/c1-3-8-18(2)12(19)9-10-6-4-5-7-11(10)17-22(20,21)13(14,15)16/h1,4-7,17H,8-9H2,2H3.
What are the key properties of N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide?
N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide has a molecular weight of 334.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 13175476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).