3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C21H18N2O2S — CID 35541531

IUPAC3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(Cc3cccs3)c3ccccn3)oc2c1
InChIInChI=1S/C21H18N2O2S/c1-14-8-9-17-15(2)20(25-18(17)12-14)21(24)23(13-16-6-5-11-26-16)19-7-3-4-10-22-19/h3-12H,13H2,1-2H3
InChIKeyUYJMGLVJLOUEJM-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.35
Rot. Bonds4

About 3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 35541531) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID35541531
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(Cc3cccs3)c3ccccn3)oc2c1
InChIInChI=1S/C21H18N2O2S/c1-14-8-9-17-15(2)20(25-18(17)12-14)21(24)23(13-16-6-5-11-26-16)19-7-3-4-10-22-19/h3-12H,13H2,1-2H3
InChIKeyUYJMGLVJLOUEJM-UHFFFAOYSA-N
XLogP5.35
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 35541531) is 3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)N(Cc3cccs3)c3ccccn3)oc2c1.
What is the InChIKey of 3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is UYJMGLVJLOUEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-14-8-9-17-15(2)20(25-18(17)12-14)21(24)23(13-16-6-5-11-26-16)19-7-3-4-10-22-19/h3-12H,13H2,1-2H3.
What are the key properties of 3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35541531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).