N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide

C13H16F3NO5S — CID 171484135

IUPACN-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide
SMILESCON(C)C(=O)c1ccc(OCCS(C)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO5S/c1-17(21-2)12(18)9-4-5-11(10(8-9)13(14,15)16)22-6-7-23(3,19)20/h4-5,8H,6-7H2,1-3H3
InChIKeyBSFFLPYXGUYNRI-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.76
Rot. Bonds6

About N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide

N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide (PubChem CID 171484135) has the molecular formula C13H16F3NO5S and a molecular weight of 355.33 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide
PubChem CID171484135
Molecular FormulaC13H16F3NO5S
Molecular Weight355.33 g/mol
Exact Mass355.07
IUPAC NameN-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide
SMILESCON(C)C(=O)c1ccc(OCCS(C)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO5S/c1-17(21-2)12(18)9-4-5-11(10(8-9)13(14,15)16)22-6-7-23(3,19)20/h4-5,8H,6-7H2,1-3H3
InChIKeyBSFFLPYXGUYNRI-UHFFFAOYSA-N
XLogP1.76
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320226
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
CID 86086315
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63319742
4-methoxy-3-(2-methylsulfonylethoxy)benzoic acid
CID 54937511
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide;3-methyl-4-(trifluoromethyl)benzoic acid
CID 159162955
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzoic acid
CID 55206438
1-[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320553
4-[3-(ethylamino)-3-oxopropoxy]-3-(trifluoromethyl)benzoic acid
CID 63320573
methyl 3-[4-chlorosulfonyl-2-(trifluoromethyl)phenoxy]propanoate
CID 150632807
4-(2-ethylsulfonylethoxy)-3-(trifluoromethyl)aniline
CID 61389495
4-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)benzonitrile
CID 115467864
1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 63191642

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide (CID 171484135) is N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide is CON(C)C(=O)c1ccc(OCCS(C)(=O)=O)c(C(F)(F)F)c1.
What is the InChIKey of N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide?
The InChIKey is BSFFLPYXGUYNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO5S/c1-17(21-2)12(18)9-4-5-11(10(8-9)13(14,15)16)22-6-7-23(3,19)20/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide?
N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide has a molecular weight of 355.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 171484135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).