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

C13H10ClF3N2O2S — CID 33297084

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H10ClF3N2O2S/c14-10-4-3-8(22-10)6-18-11(20)7-19-5-1-2-9(12(19)21)13(15,16)17/h1-5H,6-7H2,(H,18,20)
InChIKeyIWVWEWFMWIHPBE-UHFFFAOYSA-N
MW350.75 g/mol
LogP2.90
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 33297084) has the molecular formula C13H10ClF3N2O2S and a molecular weight of 350.75 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID33297084
Molecular FormulaC13H10ClF3N2O2S
Molecular Weight350.75 g/mol
Exact Mass350.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H10ClF3N2O2S/c14-10-4-3-8(22-10)6-18-11(20)7-19-5-1-2-9(12(19)21)13(15,16)17/h1-5H,6-7H2,(H,18,20)
InChIKeyIWVWEWFMWIHPBE-UHFFFAOYSA-N
XLogP2.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 33297084) is N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is IWVWEWFMWIHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2S/c14-10-4-3-8(22-10)6-18-11(20)7-19-5-1-2-9(12(19)21)13(15,16)17/h1-5H,6-7H2,(H,18,20).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 350.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 33297084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).