N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

C24H25BrN2O4S — CID 43873317

IUPACN-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3cccc(Br)c3)cc2)c1
InChIInChI=1S/C24H25BrN2O4S/c1-16-7-8-17(2)23(13-16)27-32(29,30)22-11-9-21(10-12-22)31-15-24(28)26-18(3)19-5-4-6-20(25)14-19/h4-14,18,27H,15H2,1-3H3,(H,26,28)
InChIKeyQONDTXJPGUNKFZ-UHFFFAOYSA-N
MW517.45 g/mol
LogP5.12
Rot. Bonds8

About N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 43873317) has the molecular formula C24H25BrN2O4S and a molecular weight of 517.45 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID43873317
Molecular FormulaC24H25BrN2O4S
Molecular Weight517.45 g/mol
Exact Mass516.07
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3cccc(Br)c3)cc2)c1
InChIInChI=1S/C24H25BrN2O4S/c1-16-7-8-17(2)23(13-16)27-32(29,30)22-11-9-21(10-12-22)31-15-24(28)26-18(3)19-5-4-6-20(25)14-19/h4-14,18,27H,15H2,1-3H3,(H,26,28)
InChIKeyQONDTXJPGUNKFZ-UHFFFAOYSA-N
XLogP5.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.45
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide 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-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(1-phenylethyl)acetamide
CID 4580368
N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
CID 43873421
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906343
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552786
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552789
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553351
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 28551898
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28554860
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 94861649
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 126376520
N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3908573

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (CID 43873317) is N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3cccc(Br)c3)cc2)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is QONDTXJPGUNKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O4S/c1-16-7-8-17(2)23(13-16)27-32(29,30)22-11-9-21(10-12-22)31-15-24(28)26-18(3)19-5-4-6-20(25)14-19/h4-14,18,27H,15H2,1-3H3,(H,26,28).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 517.45 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 43873317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).