5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide

C25H23NO6S — CID 55660876

IUPAC5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C25H23NO6S/c27-25(24-12-11-22(32-24)18-33(28,29)23-9-2-1-3-10-23)26-15-19-6-4-7-20(14-19)16-30-17-21-8-5-13-31-21/h1-14H,15-18H2,(H,26,27)
InChIKeyXAFKTMANCHUXCL-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.49
Rot. Bonds10

About 5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 55660876) has the molecular formula C25H23NO6S and a molecular weight of 465.53 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID55660876
Molecular FormulaC25H23NO6S
Molecular Weight465.53 g/mol
Exact Mass465.12
IUPAC Name5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C25H23NO6S/c27-25(24-12-11-22(32-24)18-33(28,29)23-9-2-1-3-10-23)26-15-19-6-4-7-20(14-19)16-30-17-21-8-5-13-31-21/h1-14H,15-18H2,(H,26,27)
InChIKeyXAFKTMANCHUXCL-UHFFFAOYSA-N
XLogP4.49
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide
CID 55807041
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
CID 46434217
N-[3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46470414
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56812373

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide (CID 55660876) is 5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide is O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is XAFKTMANCHUXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6S/c27-25(24-12-11-22(32-24)18-33(28,29)23-9-2-1-3-10-23)26-15-19-6-4-7-20(14-19)16-30-17-21-8-5-13-31-21/h1-14H,15-18H2,(H,26,27).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 55660876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).