3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

C20H19N3O5S — CID 43002494

IUPAC3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C20H19N3O5S/c1-14-9-10-17(29(26,27)21-13-16-8-5-11-28-16)12-18(14)20(25)23-22-19(24)15-6-3-2-4-7-15/h2-12,21H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyKXTHDALNODPKQC-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.14
Rot. Bonds6

About 3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 43002494) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID43002494
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C20H19N3O5S/c1-14-9-10-17(29(26,27)21-13-16-8-5-11-28-16)12-18(14)20(25)23-22-19(24)15-6-3-2-4-7-15/h2-12,21H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyKXTHDALNODPKQC-UHFFFAOYSA-N
XLogP2.14
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55506799
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 134034036
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412122
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 46691070
methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
CID 55349906
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495176
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904

Frequently Asked Questions

What is the IUPAC name of 3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (CID 43002494) is 3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of 3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is KXTHDALNODPKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-14-9-10-17(29(26,27)21-13-16-8-5-11-28-16)12-18(14)20(25)23-22-19(24)15-6-3-2-4-7-15/h2-12,21H,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 413.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43002494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).