2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide

C15H11F6NO2S — CID 2741304

IUPAC2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NCc1cccs1
InChIInChI=1S/C15H11F6NO2S/c1-24-11-6-8(14(16,17)18)5-10(15(19,20)21)12(11)13(23)22-7-9-3-2-4-25-9/h2-6H,7H2,1H3,(H,22,23)
InChIKeyYNRRNIXDGZUDGQ-UHFFFAOYSA-N
MW383.31 g/mol
LogP4.72
Rot. Bonds4

About 2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide

2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide (PubChem CID 2741304) has the molecular formula C15H11F6NO2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide
PubChem CID2741304
Molecular FormulaC15H11F6NO2S
Molecular Weight383.31 g/mol
Exact Mass383.04
IUPAC Name2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NCc1cccs1
InChIInChI=1S/C15H11F6NO2S/c1-24-11-6-8(14(16,17)18)5-10(15(19,20)21)12(11)13(23)22-7-9-3-2-4-25-9/h2-6H,7H2,1H3,(H,22,23)
InChIKeyYNRRNIXDGZUDGQ-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide (CID 2741304) is 2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NCc1cccs1.
What is the InChIKey of 2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is YNRRNIXDGZUDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO2S/c1-24-11-6-8(14(16,17)18)5-10(15(19,20)21)12(11)13(23)22-7-9-3-2-4-25-9/h2-6H,7H2,1H3,(H,22,23).
What are the key properties of 2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide?
2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 383.31 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(thiophen-2-ylmethyl)-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 2741304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).