2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide

C21H21N3O5S — CID 95295267

IUPAC2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21N3O5S/c1-24(2)30(27,28)17-9-5-7-15(13-17)20(25)23-19-11-4-3-10-18(19)21(26)22-14-16-8-6-12-29-16/h3-13H,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyGKJZSLFMBGXASP-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.71
Rot. Bonds7

About 2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 95295267) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID95295267
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21N3O5S/c1-24(2)30(27,28)17-9-5-7-15(13-17)20(25)23-19-11-4-3-10-18(19)21(26)22-14-16-8-6-12-29-16/h3-13H,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyGKJZSLFMBGXASP-UHFFFAOYSA-N
XLogP2.71
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1302890
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
3-(dipropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 26909549
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922685
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 4824191
2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 18891129
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34647496

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 95295267) is 2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1.
What is the InChIKey of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is GKJZSLFMBGXASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-24(2)30(27,28)17-9-5-7-15(13-17)20(25)23-19-11-4-3-10-18(19)21(26)22-14-16-8-6-12-29-16/h3-13H,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 427.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 95295267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).