2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide

C20H18FN3O5S — CID 2471000

IUPAC2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H18FN3O5S/c21-18-6-2-1-5-17(18)20(26)22-13-19(25)24-14-7-9-16(10-8-14)30(27,28)23-12-15-4-3-11-29-15/h1-11,23H,12-13H2,(H,22,26)(H,24,25)
InChIKeyKIBKWDYTZXEYJD-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.27
Rot. Bonds8

About 2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide (PubChem CID 2471000) has the molecular formula C20H18FN3O5S and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide
PubChem CID2471000
Molecular FormulaC20H18FN3O5S
Molecular Weight431.45 g/mol
Exact Mass431.10
IUPAC Name2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H18FN3O5S/c21-18-6-2-1-5-17(18)20(26)22-13-19(25)24-14-7-9-16(10-8-14)30(27,28)23-12-15-4-3-11-29-15/h1-11,23H,12-13H2,(H,22,26)(H,24,25)
InChIKeyKIBKWDYTZXEYJD-UHFFFAOYSA-N
XLogP2.27
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 2534066
2-fluoro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345851
N-(3,4-difluorophenyl)-2-fluoro-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 4115156
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 108806522
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide (CID 2471000) is 2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1F)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide?
The InChIKey is KIBKWDYTZXEYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5S/c21-18-6-2-1-5-17(18)20(26)22-13-19(25)24-14-7-9-16(10-8-14)30(27,28)23-12-15-4-3-11-29-15/h1-11,23H,12-13H2,(H,22,26)(H,24,25).
What are the key properties of 2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide has a molecular weight of 431.45 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 2471000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).