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

C23H26N2O5S — CID 24626056

IUPAC3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)oc2ccccc12
InChIInChI=1S/C23H26N2O5S/c1-29-16-19-18-10-4-5-11-20(18)30-22(19)23(26)24-15-17-9-3-6-12-21(17)31(27,28)25-13-7-2-8-14-25/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,24,26)
InChIKeyCZSNTZMZUMSMJW-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.68
Rot. Bonds7

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

3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 24626056) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID24626056
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)oc2ccccc12
InChIInChI=1S/C23H26N2O5S/c1-29-16-19-18-10-4-5-11-20(18)30-22(19)23(26)24-15-17-9-3-6-12-21(17)31(27,28)25-13-7-2-8-14-25/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,24,26)
InChIKeyCZSNTZMZUMSMJW-UHFFFAOYSA-N
XLogP3.68
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 24626056) is 3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is CZSNTZMZUMSMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-29-16-19-18-10-4-5-11-20(18)30-22(19)23(26)24-15-17-9-3-6-12-21(17)31(27,28)25-13-7-2-8-14-25/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,24,26).
What are the key properties of 3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24626056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).