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

C24H21NO6S — CID 55807041

IUPAC5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(COCc2ccco2)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C24H21NO6S/c26-24(23-12-11-21(31-23)17-32(27,28)22-9-2-1-3-10-22)25-19-7-4-6-18(14-19)15-29-16-20-8-5-13-30-20/h1-14H,15-17H2,(H,25,26)
InChIKeyQVTLGGOTTGRWFD-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.82
Rot. Bonds9

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

5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide (PubChem CID 55807041) has the molecular formula C24H21NO6S and a molecular weight of 451.50 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide
PubChem CID55807041
Molecular FormulaC24H21NO6S
Molecular Weight451.50 g/mol
Exact Mass451.11
IUPAC Name5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(COCc2ccco2)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C24H21NO6S/c26-24(23-12-11-21(31-23)17-32(27,28)22-9-2-1-3-10-22)25-19-7-4-6-18(14-19)15-29-16-20-8-5-13-30-20/h1-14H,15-17H2,(H,25,26)
InChIKeyQVTLGGOTTGRWFD-UHFFFAOYSA-N
XLogP4.82
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55660876
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693
N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78891799
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(2-phenylethenylsulfonylamino)benzamide
CID 55933313
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 98890248
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
5-(phenoxymethyl)-N-(3-sulfamoylphenyl)furan-2-carboxamide
CID 9413056

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide (CID 55807041) is 5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(COCc2ccco2)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide?
The InChIKey is QVTLGGOTTGRWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6S/c26-24(23-12-11-21(31-23)17-32(27,28)22-9-2-1-3-10-22)25-19-7-4-6-18(14-19)15-29-16-20-8-5-13-30-20/h1-14H,15-17H2,(H,25,26).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 4.82, 9 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]furan-2-carboxamide is sourced from PubChem (CID 55807041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).