3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C20H22N2O2S — CID 71449689

IUPAC3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(Cc2cccs2)C2CCNCC2)oc2ccccc12
InChIInChI=1S/C20H22N2O2S/c1-14-17-6-2-3-7-18(17)24-19(14)20(23)22(13-16-5-4-12-25-16)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11,13H2,1H3
InChIKeyZYJSJBZEGJGPQK-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.20
Rot. Bonds4

About 3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 71449689) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID71449689
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Name3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(Cc2cccs2)C2CCNCC2)oc2ccccc12
InChIInChI=1S/C20H22N2O2S/c1-14-17-6-2-3-7-18(17)24-19(14)20(23)22(13-16-5-4-12-25-16)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11,13H2,1H3
InChIKeyZYJSJBZEGJGPQK-UHFFFAOYSA-N
XLogP4.20
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 71449689) is 3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(Cc2cccs2)C2CCNCC2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZYJSJBZEGJGPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14-17-6-2-3-7-18(17)24-19(14)20(23)22(13-16-5-4-12-25-16)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11,13H2,1H3.
What are the key properties of 3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-piperidin-4-yl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71449689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).