N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C23H18F3N3O4S — CID 27813316

IUPACN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESO=C(CNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C23H18F3N3O4S/c24-18-10-11-19(22(26)21(18)25)28-20(30)14-27-23(31)16-6-8-17(9-7-16)29-34(32,33)13-12-15-4-2-1-3-5-15/h1-13,29H,14H2,(H,27,31)(H,28,30)/b13-12+
InChIKeyYXPCNDWNMQWRMV-OUKQBFOZSA-N
MW489.48 g/mol
LogP3.88
Rot. Bonds8

About N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 27813316) has the molecular formula C23H18F3N3O4S and a molecular weight of 489.48 g/mol. Its IUPAC name is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID27813316
Molecular FormulaC23H18F3N3O4S
Molecular Weight489.48 g/mol
Exact Mass489.10
IUPAC NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESO=C(CNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C23H18F3N3O4S/c24-18-10-11-19(22(26)21(18)25)28-20(30)14-27-23(31)16-6-8-17(9-7-16)29-34(32,33)13-12-15-4-2-1-3-5-15/h1-13,29H,14H2,(H,27,31)(H,28,30)/b13-12+
InChIKeyYXPCNDWNMQWRMV-OUKQBFOZSA-N
XLogP3.88
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide
CID 26969723
methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate
CID 55348887
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
N-[2-(2,3-difluoroanilino)-2-oxoethyl]benzamide
CID 155977265
N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 33033292
N-(2-fluorophenyl)-2-[[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42766043
N-(5-acetamido-2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55692087
3-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812742
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2685860
N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 32831449
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 27813316) is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is O=C(CNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is YXPCNDWNMQWRMV-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H18F3N3O4S/c24-18-10-11-19(22(26)21(18)25)28-20(30)14-27-23(31)16-6-8-17(9-7-16)29-34(32,33)13-12-15-4-2-1-3-5-15/h1-13,29H,14H2,(H,27,31)(H,28,30)/b13-12+.
What are the key properties of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 489.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 27813316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).