N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

C17H16N2O3S — CID 2451586

IUPACN-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2CSC)cn1
InChIInChI=1S/C17H16N2O3S/c1-21-15-8-7-11(9-18-15)19-17(20)16-13(10-23-2)12-5-3-4-6-14(12)22-16/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyYZDQFXPFQUGCKB-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.95
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 2451586) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
PubChem CID2451586
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2CSC)cn1
InChIInChI=1S/C17H16N2O3S/c1-21-15-8-7-11(9-18-15)19-17(20)16-13(10-23-2)12-5-3-4-6-14(12)22-16/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyYZDQFXPFQUGCKB-UHFFFAOYSA-N
XLogP3.95
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (CID 2451586) is N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccccc3c2CSC)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is YZDQFXPFQUGCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-15-8-7-11(9-18-15)19-17(20)16-13(10-23-2)12-5-3-4-6-14(12)22-16/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2451586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).