N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide

C10H11F3N2O2S — CID 4648750

IUPACN-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide
SMILESCON(C)C(=O)CSc1cnccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c1-15(17-2)9(16)6-18-8-5-14-4-3-7(8)10(11,12)13/h3-5H,6H2,1-2H3
InChIKeyKFKYSKXQXAFMBZ-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.21
Rot. Bonds4

About N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide

N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide (PubChem CID 4648750) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide
PubChem CID4648750
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC NameN-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide
SMILESCON(C)C(=O)CSc1cnccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c1-15(17-2)9(16)6-18-8-5-14-4-3-7(8)10(11,12)13/h3-5H,6H2,1-2H3
InChIKeyKFKYSKXQXAFMBZ-UHFFFAOYSA-N
XLogP2.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide (CID 4648750) is N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide is CON(C)C(=O)CSc1cnccc1C(F)(F)F.
What is the InChIKey of N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide?
The InChIKey is KFKYSKXQXAFMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-15(17-2)9(16)6-18-8-5-14-4-3-7(8)10(11,12)13/h3-5H,6H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide?
N-methoxy-N-methyl-2-[[4-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide has a molecular weight of 280.27 g/mol, XLogP of 2.21, 4 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-(trifluoromethyl)-3-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 4648750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).