2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide

C28H27FN4O5S — CID 18891129

IUPAC2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)c1ccccc1F
InChIInChI=1S/C28H27FN4O5S/c1-32(2)39(36,37)33(26-12-6-4-10-24(26)29)19-20-13-15-21(16-14-20)27(34)31-25-11-5-3-9-23(25)28(35)30-18-22-8-7-17-38-22/h3-17H,18-19H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyRVQXVZVKXCXFKJ-UHFFFAOYSA-N
MW550.61 g/mol
LogP4.41
Rot. Bonds10

About 2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 18891129) has the molecular formula C28H27FN4O5S and a molecular weight of 550.61 g/mol. Its IUPAC name is 2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID18891129
Molecular FormulaC28H27FN4O5S
Molecular Weight550.61 g/mol
Exact Mass550.17
IUPAC Name2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)c1ccccc1F
InChIInChI=1S/C28H27FN4O5S/c1-32(2)39(36,37)33(26-12-6-4-10-24(26)29)19-20-13-15-21(16-14-20)27(34)31-25-11-5-3-9-23(25)28(35)30-18-22-8-7-17-38-22/h3-17H,18-19H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyRVQXVZVKXCXFKJ-UHFFFAOYSA-N
XLogP4.41
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.61
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53283286
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(2-ethylsulfanylphenyl)benzamide
CID 28569994
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1302890
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 95295267
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 53283208
2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34647496
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53283224
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 53283141
3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide
CID 53283325
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92675281

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 18891129) is 2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide is CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)c1ccccc1F.
What is the InChIKey of 2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RVQXVZVKXCXFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O5S/c1-32(2)39(36,37)33(26-12-6-4-10-24(26)29)19-20-13-15-21(16-14-20)27(34)31-25-11-5-3-9-23(25)28(35)30-18-22-8-7-17-38-22/h3-17H,18-19H2,1-2H3,(H,30,35)(H,31,34).
What are the key properties of 2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 550.61 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 18891129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).