N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide

C12H14F3NO4S — CID 56806428

IUPACN-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide
SMILESCON(C)C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO4S/c1-16(20-2)11(17)7-9-3-5-10(6-4-9)21(18,19)8-12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyJIKYYWSPVGZRMT-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.58
Rot. Bonds5

About N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide

N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide (PubChem CID 56806428) has the molecular formula C12H14F3NO4S and a molecular weight of 325.31 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide
PubChem CID56806428
Molecular FormulaC12H14F3NO4S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC NameN-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide
SMILESCON(C)C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO4S/c1-16(20-2)11(17)7-9-3-5-10(6-4-9)21(18,19)8-12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyJIKYYWSPVGZRMT-UHFFFAOYSA-N
XLogP1.58
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
CID 89040835
tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]benzoate
CID 59331582
lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane
CID 158240272
tert-butyl N-[4-[2-[methoxy(methyl)amino]-2-oxoethyl]phenyl]carbamate
CID 131868653
1-[4-(trifluoromethylsulfonyl)phenyl]propan-2-one
CID 63199172
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide
CID 126580516
2-[4-amino-3-(aminomethyl)phenyl]-N-methoxy-N-methylacetamide
CID 174908949
2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
CID 87253905
2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide
CID 19043704
methyl 3-(2,2,2-trifluoroethylsulfonyl)benzoate
CID 71932078
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide
CID 118168683

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide?
The IUPAC name of N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide (CID 56806428) is N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide is CON(C)C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1.
What is the InChIKey of N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide?
The InChIKey is JIKYYWSPVGZRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4S/c1-16(20-2)11(17)7-9-3-5-10(6-4-9)21(18,19)8-12(13,14)15/h3-6H,7-8H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide?
N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide has a molecular weight of 325.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 56806428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).