3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide

C18H20BrClN2O3S — CID 52572597

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O3S/c1-2-22(13-14-5-3-4-6-17(14)20)18(23)11-12-21-26(24,25)16-9-7-15(19)8-10-16/h3-10,21H,2,11-13H2,1H3
InChIKeySGLGTKOKKYLBJG-UHFFFAOYSA-N
MW459.79 g/mol
LogP3.82
Rot. Bonds8

About 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide

3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide (PubChem CID 52572597) has the molecular formula C18H20BrClN2O3S and a molecular weight of 459.79 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
PubChem CID52572597
Molecular FormulaC18H20BrClN2O3S
Molecular Weight459.79 g/mol
Exact Mass458.01
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O3S/c1-2-22(13-14-5-3-4-6-17(14)20)18(23)11-12-21-26(24,25)16-9-7-15(19)8-10-16/h3-10,21H,2,11-13H2,1H3
InChIKeySGLGTKOKKYLBJG-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide 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-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 43007201
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
3-[(4-bromophenyl)sulfonylamino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38075553
4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605294
3-(benzenesulfonamido)-N-ethyl-N-phenylpropanamide
CID 17225869
N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
CID 109057991
3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide
CID 17192422
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119723037
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135
N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 52572631

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide (CID 52572597) is 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide is CCN(Cc1ccccc1Cl)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
The InChIKey is SGLGTKOKKYLBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O3S/c1-2-22(13-14-5-3-4-6-17(14)20)18(23)11-12-21-26(24,25)16-9-7-15(19)8-10-16/h3-10,21H,2,11-13H2,1H3.
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide has a molecular weight of 459.79 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide is sourced from PubChem (CID 52572597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).