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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Related Compounds

N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
CID 12833907
N-methyl-2-(2-methyl-3-nitrophenyl)-N-prop-2-ynylacetamide
CID 99832697
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
CID 62999124
(2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid
CID 141071562
2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119346109
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
CID 62536120
1,1,1-trifluoro-N-[2-[(3-methylidene-2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide
CID 145215692
N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 141147546
4-methylbenzene-1,3-dicarboxylic acid;1,1,1-trifluoro-N-[2-(piperidin-1-ylmethyl)phenyl]methanesulfonamide
CID 174632356
N-(2-prop-2-ynylphenyl)acetamide
CID 57178754
3-[2-(tert-butylsulfonylamino)phenyl]propanoic acid
CID 107272629
1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene
CID 71921337

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).