N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide

C20H21N3O4S — CID 109060496

IUPACN-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H21N3O4S/c1-23(13-10-16-8-11-21-12-9-16)28(25,26)19-6-4-17(5-7-19)20(24)22-15-18-3-2-14-27-18/h2-9,11-12,14H,10,13,15H2,1H3,(H,22,24)
InChIKeyXKGRZZJLCXHZIH-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.47
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide

N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide (PubChem CID 109060496) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
PubChem CID109060496
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H21N3O4S/c1-23(13-10-16-8-11-21-12-9-16)28(25,26)19-6-4-17(5-7-19)20(24)22-15-18-3-2-14-27-18/h2-9,11-12,14H,10,13,15H2,1H3,(H,22,24)
InChIKeyXKGRZZJLCXHZIH-UHFFFAOYSA-N
XLogP2.47
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109059028
N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109303441
4-(dimethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118985
4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060492
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
N-(furan-2-ylmethyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide
CID 18170892
4-[3-(dimethylamino)propylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060283
5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50795472
4-(dipropylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109060953
4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 2216242
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide (CID 109060496) is N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide is CN(CCc1ccncc1)S(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
The InChIKey is XKGRZZJLCXHZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-23(13-10-16-8-11-21-12-9-16)28(25,26)19-6-4-17(5-7-19)20(24)22-15-18-3-2-14-27-18/h2-9,11-12,14H,10,13,15H2,1H3,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide?
N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide is sourced from PubChem (CID 109060496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).