3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

C22H24N2O5S — CID 4316625

IUPAC3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)oc2ccccc12
InChIInChI=1S/C22H24N2O5S/c1-28-15-19-18-10-3-4-11-20(18)29-21(19)22(25)23-16-8-7-9-17(14-16)30(26,27)24-12-5-2-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,25)
InChIKeyYFGRFMOVNYLMKD-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.01
Rot. Bonds6

About 3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 4316625) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID4316625
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)oc2ccccc12
InChIInChI=1S/C22H24N2O5S/c1-28-15-19-18-10-3-4-11-20(18)29-21(19)22(25)23-16-8-7-9-17(14-16)30(26,27)24-12-5-2-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,25)
InChIKeyYFGRFMOVNYLMKD-UHFFFAOYSA-N
XLogP4.01
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 4316625) is 3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is YFGRFMOVNYLMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-28-15-19-18-10-3-4-11-20(18)29-21(19)22(25)23-16-8-7-9-17(14-16)30(26,27)24-12-5-2-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,25).
What are the key properties of 3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4316625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).