2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

C19H26BrN3O4S — CID 43006202

IUPAC2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C19H26BrN3O4S/c1-5-23(6-2)28(25,26)14-9-10-16(20)15(12-14)19(24)21-13-17(22(3)4)18-8-7-11-27-18/h7-12,17H,5-6,13H2,1-4H3,(H,21,24)
InChIKeyARXFYPOZIUVDGQ-UHFFFAOYSA-N
MW472.41 g/mol
LogP3.11
Rot. Bonds9

About 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 43006202) has the molecular formula C19H26BrN3O4S and a molecular weight of 472.41 g/mol. Its IUPAC name is 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
PubChem CID43006202
Molecular FormulaC19H26BrN3O4S
Molecular Weight472.41 g/mol
Exact Mass471.08
IUPAC Name2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C19H26BrN3O4S/c1-5-23(6-2)28(25,26)14-9-10-16(20)15(12-14)19(24)21-13-17(22(3)4)18-8-7-11-27-18/h7-12,17H,5-6,13H2,1-4H3,(H,21,24)
InChIKeyARXFYPOZIUVDGQ-UHFFFAOYSA-N
XLogP3.11
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]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

5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 55332364
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51145074
2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103852810
N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide
CID 9296732
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 80710543
[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2533073
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
3-(anilinocarbamoyl)-4-bromo-N,N-diethylbenzenesulfonamide
CID 86932912
2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86836069
2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide
CID 7826091
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (CID 43006202) is 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCC(c2ccco2)N(C)C)c1.
What is the InChIKey of 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is ARXFYPOZIUVDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O4S/c1-5-23(6-2)28(25,26)14-9-10-16(20)15(12-14)19(24)21-13-17(22(3)4)18-8-7-11-27-18/h7-12,17H,5-6,13H2,1-4H3,(H,21,24).
What are the key properties of 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 472.41 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 43006202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).