N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C22H22N2O4S — CID 55620096

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-17(16-21-8-5-14-28-21)23-22(25)19-9-11-20(12-10-19)24-29(26,27)15-13-18-6-3-2-4-7-18/h2-15,17,24H,16H2,1H3,(H,23,25)/b15-13+
InChIKeyKLOFKQVETOYWNY-FYWRMAATSA-N
MW410.50 g/mol
LogP4.05
Rot. Bonds8

About N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 55620096) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID55620096
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-17(16-21-8-5-14-28-21)23-22(25)19-9-11-20(12-10-19)24-29(26,27)15-13-18-6-3-2-4-7-18/h2-15,17,24H,16H2,1H3,(H,23,25)/b15-13+
InChIKeyKLOFKQVETOYWNY-FYWRMAATSA-N
XLogP4.05
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 55620096) is N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is CC(Cc1ccco1)NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is KLOFKQVETOYWNY-FYWRMAATSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-17(16-21-8-5-14-28-21)23-22(25)19-9-11-20(12-10-19)24-29(26,27)15-13-18-6-3-2-4-7-18/h2-15,17,24H,16H2,1H3,(H,23,25)/b15-13+.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 410.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 55620096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).