5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide

C20H15F3N2O5S — CID 27812757

IUPAC5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H15F3N2O5S/c21-14-7-8-15(19(23)18(14)22)25-17(26)10-24-20(27)16-9-6-12(30-16)11-31(28,29)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,24,27)(H,25,26)
InChIKeyUZJOLHWSHVROGB-UHFFFAOYSA-N
MW452.41 g/mol
LogP3.04
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide (PubChem CID 27812757) has the molecular formula C20H15F3N2O5S and a molecular weight of 452.41 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
PubChem CID27812757
Molecular FormulaC20H15F3N2O5S
Molecular Weight452.41 g/mol
Exact Mass452.07
IUPAC Name5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H15F3N2O5S/c21-14-7-8-15(19(23)18(14)22)25-17(26)10-24-20(27)16-9-6-12(30-16)11-31(28,29)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,24,27)(H,25,26)
InChIKeyUZJOLHWSHVROGB-UHFFFAOYSA-N
XLogP3.04
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
CID 27895424
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
3-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812742
5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 24524461
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 26736329
2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 51146120
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 43009760

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide (CID 27812757) is 5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
The InChIKey is UZJOLHWSHVROGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O5S/c21-14-7-8-15(19(23)18(14)22)25-17(26)10-24-20(27)16-9-6-12(30-16)11-31(28,29)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,24,27)(H,25,26).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide has a molecular weight of 452.41 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 27812757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).