N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C27H24N2O5S — CID 98890248

IUPACN-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESO=C(Nc1cccc(COCc2ccco2)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C27H24N2O5S/c30-27(28-25-9-4-8-22(18-25)19-33-20-26-10-5-16-34-26)23-11-13-24(14-12-23)29-35(31,32)17-15-21-6-2-1-3-7-21/h1-18,29H,19-20H2,(H,28,30)/b17-15+
InChIKeyPIRJKSSNDBRCAA-BMRADRMJSA-N
MW488.57 g/mol
LogP5.66
Rot. Bonds10

About N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 98890248) has the molecular formula C27H24N2O5S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID98890248
Molecular FormulaC27H24N2O5S
Molecular Weight488.57 g/mol
Exact Mass488.14
IUPAC NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESO=C(Nc1cccc(COCc2ccco2)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C27H24N2O5S/c30-27(28-25-9-4-8-22(18-25)19-33-20-26-10-5-16-34-26)23-11-13-24(14-12-23)29-35(31,32)17-15-21-6-2-1-3-7-21/h1-18,29H,19-20H2,(H,28,30)/b17-15+
InChIKeyPIRJKSSNDBRCAA-BMRADRMJSA-N
XLogP5.66
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(2-phenylethenylsulfonylamino)benzamide
CID 55933313
N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55620096
N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55991558
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162
5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide
CID 55807041
N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 6218294
3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 87006764
3-(difluoromethoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 55806690
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
N-(4-ethoxyphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24638590

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 98890248) is N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is O=C(Nc1cccc(COCc2ccco2)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is PIRJKSSNDBRCAA-BMRADRMJSA-N. The full InChI is InChI=1S/C27H24N2O5S/c30-27(28-25-9-4-8-22(18-25)19-33-20-26-10-5-16-34-26)23-11-13-24(14-12-23)29-35(31,32)17-15-21-6-2-1-3-7-21/h1-18,29H,19-20H2,(H,28,30)/b17-15+.
What are the key properties of N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 488.57 g/mol, XLogP of 5.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 98890248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).