N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

C24H25BrN2O4S — CID 28554860

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cccc(Br)c3)c(C)c2)cc1
InChIInChI=1S/C24H25BrN2O4S/c1-16-7-9-21(10-8-16)27-32(29,30)22-11-12-23(17(2)13-22)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)/t18-/m1/s1
InChIKeyOSUVPPXHNHPSEY-GOSISDBHSA-N
MW517.45 g/mol
LogP5.12
Rot. Bonds8

About N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 28554860) has the molecular formula C24H25BrN2O4S and a molecular weight of 517.45 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID28554860
Molecular FormulaC24H25BrN2O4S
Molecular Weight517.45 g/mol
Exact Mass516.07
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cccc(Br)c3)c(C)c2)cc1
InChIInChI=1S/C24H25BrN2O4S/c1-16-7-9-21(10-8-16)27-32(29,30)22-11-12-23(17(2)13-22)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)/t18-/m1/s1
InChIKeyOSUVPPXHNHPSEY-GOSISDBHSA-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

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide
CID 43873669
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28555179
N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
CID 43873421
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28555099
2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 41032284
N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 43873317
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555570
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 94861649
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28555474
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28554997
N-[1-(4-methoxyphenyl)ethyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 43873615
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28555536

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (CID 28554860) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cccc(Br)c3)c(C)c2)cc1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is OSUVPPXHNHPSEY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25BrN2O4S/c1-16-7-9-21(10-8-16)27-32(29,30)22-11-12-23(17(2)13-22)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)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)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-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 28554860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).