N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide

C10H10F3NO2S — CID 58962540

IUPACN-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide
SMILESCON(C)C(=O)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2S/c1-14(16-2)9(15)7-4-3-5-8(6-7)17-10(11,12)13/h3-6H,1-2H3
InChIKeyGYNLWCLIWIJDPC-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.93
Rot. Bonds3

About N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide

N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide (PubChem CID 58962540) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide
PubChem CID58962540
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC NameN-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide
SMILESCON(C)C(=O)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2S/c1-14(16-2)9(15)7-4-3-5-8(6-7)17-10(11,12)13/h3-6H,1-2H3
InChIKeyGYNLWCLIWIJDPC-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 21325272
3-benzoyl-N-methoxy-N-methylbenzamide
CID 86595919
N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 60717294
N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide
CID 154764718
CID 87529110
CID 87529110
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
CID 86086315
3-[2-[methoxy(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 18007747
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide;3-methyl-4-(trifluoromethyl)benzoic acid
CID 159162955
N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide
CID 87067779
N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide
CID 125458149
(5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone
CID 58962464

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide (CID 58962540) is N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide is CON(C)C(=O)c1cccc(SC(F)(F)F)c1.
What is the InChIKey of N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide?
The InChIKey is GYNLWCLIWIJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c1-14(16-2)9(15)7-4-3-5-8(6-7)17-10(11,12)13/h3-6H,1-2H3.
What are the key properties of N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide?
N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide has a molecular weight of 265.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 58962540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).