1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C17H14N2O2S — CID 3242499

IUPAC1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCc2cccs2)cc2oc3ccccc3c21
InChIInChI=1S/C17H14N2O2S/c1-19-13(17(20)18-10-11-5-4-8-22-11)9-15-16(19)12-6-2-3-7-14(12)21-15/h2-9H,10H2,1H3,(H,18,20)
InChIKeyOXBONIFOUSLQLR-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.92
Rot. Bonds3

About 1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 3242499) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID3242499
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCc2cccs2)cc2oc3ccccc3c21
InChIInChI=1S/C17H14N2O2S/c1-19-13(17(20)18-10-11-5-4-8-22-11)9-15-16(19)12-6-2-3-7-14(12)21-15/h2-9H,10H2,1H3,(H,18,20)
InChIKeyOXBONIFOUSLQLR-UHFFFAOYSA-N
XLogP3.92
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (CID 3242499) is 1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is Cn1c(C(=O)NCc2cccs2)cc2oc3ccccc3c21.
What is the InChIKey of 1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is OXBONIFOUSLQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-19-13(17(20)18-10-11-5-4-8-22-11)9-15-16(19)12-6-2-3-7-14(12)21-15/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiophen-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 3242499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).