N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C14H13F3N2O2S — CID 32989352

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccsc1CNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H13F3N2O2S/c1-9-4-5-22-11(9)6-18-12(20)8-19-7-10(14(15,16)17)2-3-13(19)21/h2-5,7H,6,8H2,1H3,(H,18,20)
InChIKeyLJSJDJQJLDIUEP-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.55
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 32989352) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID32989352
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccsc1CNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H13F3N2O2S/c1-9-4-5-22-11(9)6-18-12(20)8-19-7-10(14(15,16)17)2-3-13(19)21/h2-5,7H,6,8H2,1H3,(H,18,20)
InChIKeyLJSJDJQJLDIUEP-UHFFFAOYSA-N
XLogP2.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 32989352) is N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1ccsc1CNC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is LJSJDJQJLDIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-9-4-5-22-11(9)6-18-12(20)8-19-7-10(14(15,16)17)2-3-13(19)21/h2-5,7H,6,8H2,1H3,(H,18,20).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 330.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 32989352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).