2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide

C18H21BrN2O4S — CID 112826811

IUPAC2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)c2ccc(Br)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H21BrN2O4S/c1-18(2,12-5-7-13(19)8-6-12)17(22)20-14-9-10-16(25-3)15(11-14)21-26(4,23)24/h5-11,21H,1-4H3,(H,20,22)
InChIKeyLYGIFSGFMWUJMU-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.75
Rot. Bonds6

About 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide

2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide (PubChem CID 112826811) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide
PubChem CID112826811
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)c2ccc(Br)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H21BrN2O4S/c1-18(2,12-5-7-13(19)8-6-12)17(22)20-14-9-10-16(25-3)15(11-14)21-26(4,23)24/h5-11,21H,1-4H3,(H,20,22)
InChIKeyLYGIFSGFMWUJMU-UHFFFAOYSA-N
XLogP3.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide 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

2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide
CID 60622628
2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 51132083
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide
CID 110451563
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide (CID 112826811) is 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)c2ccc(Br)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide?
The InChIKey is LYGIFSGFMWUJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-18(2,12-5-7-13(19)8-6-12)17(22)20-14-9-10-16(25-3)15(11-14)21-26(4,23)24/h5-11,21H,1-4H3,(H,20,22).
What are the key properties of 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide?
2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide has a molecular weight of 441.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 112826811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).