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

C15H15F3N2O2S — CID 134001675

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C15H15F3N2O2S/c1-10-5-7-23-12(10)8-19(2)13(21)9-20-6-3-4-11(14(20)22)15(16,17)18/h3-7H,8-9H2,1-2H3
InChIKeyIYQQOTKSNWHBGQ-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.90
Rot. Bonds4

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

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 134001675) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID134001675
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C15H15F3N2O2S/c1-10-5-7-23-12(10)8-19(2)13(21)9-20-6-3-4-11(14(20)22)15(16,17)18/h3-7H,8-9H2,1-2H3
InChIKeyIYQQOTKSNWHBGQ-UHFFFAOYSA-N
XLogP2.90
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111542957
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 30657093
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 31700678
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040323
6-amino-N,4,4-trimethyl-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 65290725
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55567347

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 134001675) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1ccsc1CN(C)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is IYQQOTKSNWHBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-10-5-7-23-12(10)8-19(2)13(21)9-20-6-3-4-11(14(20)22)15(16,17)18/h3-7H,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 344.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 134001675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).