N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide

C21H25BrN2O3S — CID 55558311

IUPACN-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H25BrN2O3S/c1-15(17-9-10-17)24(14-16-7-5-4-6-8-16)21(25)18-11-12-19(22)20(13-18)28(26,27)23(2)3/h4-8,11-13,15,17H,9-10,14H2,1-3H3
InChIKeySCSLQHLUCPUCKC-UHFFFAOYSA-N
MW465.41 g/mol
LogP4.14
Rot. Bonds7

About N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide

N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 55558311) has the molecular formula C21H25BrN2O3S and a molecular weight of 465.41 g/mol. Its IUPAC name is N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
PubChem CID55558311
Molecular FormulaC21H25BrN2O3S
Molecular Weight465.41 g/mol
Exact Mass464.08
IUPAC NameN-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H25BrN2O3S/c1-15(17-9-10-17)24(14-16-7-5-4-6-8-16)21(25)18-11-12-19(22)20(13-18)28(26,27)23(2)3/h4-8,11-13,15,17H,9-10,14H2,1-3H3
InChIKeySCSLQHLUCPUCKC-UHFFFAOYSA-N
XLogP4.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)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

N-benzyl-N-(1-cyclopropylethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 75854495
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 75854481
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26698316
4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 43037303
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55774668
4-bromo-N-[(3-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26893018
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770854
4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
CID 55594278

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide (CID 55558311) is N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide is CC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is SCSLQHLUCPUCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3S/c1-15(17-9-10-17)24(14-16-7-5-4-6-8-16)21(25)18-11-12-19(22)20(13-18)28(26,27)23(2)3/h4-8,11-13,15,17H,9-10,14H2,1-3H3.
What are the key properties of N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide?
N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 465.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 55558311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).