N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

C16H11F3N2O4S — CID 71881359

IUPACN-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESO=C(NCc1cc2ccccc2o1)c1cccnc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H11F3N2O4S/c17-16(18,19)26(23,24)15-12(5-3-7-20-15)14(22)21-9-11-8-10-4-1-2-6-13(10)25-11/h1-8H,9H2,(H,21,22)
InChIKeyCFULMPNRZXJBFM-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.05
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (PubChem CID 71881359) has the molecular formula C16H11F3N2O4S and a molecular weight of 384.34 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
PubChem CID71881359
Molecular FormulaC16H11F3N2O4S
Molecular Weight384.34 g/mol
Exact Mass384.04
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESO=C(NCc1cc2ccccc2o1)c1cccnc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H11F3N2O4S/c17-16(18,19)26(23,24)15-12(5-3-7-20-15)14(22)21-9-11-8-10-4-1-2-6-13(10)25-11/h1-8H,9H2,(H,21,22)
InChIKeyCFULMPNRZXJBFM-UHFFFAOYSA-N
XLogP3.05
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56502575
N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500916
N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 87018608
N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 37486429
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
CID 140966924
2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide
CID 91816022
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56502448
N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide
CID 87018603
2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane
CID 143305177
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56504110

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (CID 71881359) is N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is O=C(NCc1cc2ccccc2o1)c1cccnc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The InChIKey is CFULMPNRZXJBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O4S/c17-16(18,19)26(23,24)15-12(5-3-7-20-15)14(22)21-9-11-8-10-4-1-2-6-13(10)25-11/h1-8H,9H2,(H,21,22).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 71881359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).