2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide

C24H25BrN2O4S — CID 28555179

IUPAC2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C24H25BrN2O4S/c1-17-13-22(32(29,30)26-15-19-7-4-3-5-8-19)11-12-23(17)31-16-24(28)27-18(2)20-9-6-10-21(25)14-20/h3-14,18,26H,15-16H2,1-2H3,(H,27,28)/t18-/m0/s1
InChIKeyRQIBRSJKWAYVKH-SFHVURJKSA-N
MW517.45 g/mol
LogP4.49
Rot. Bonds9

About 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide (PubChem CID 28555179) has the molecular formula C24H25BrN2O4S and a molecular weight of 517.45 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
PubChem CID28555179
Molecular FormulaC24H25BrN2O4S
Molecular Weight517.45 g/mol
Exact Mass516.07
IUPAC Name2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C24H25BrN2O4S/c1-17-13-22(32(29,30)26-15-19-7-4-3-5-8-19)11-12-23(17)31-16-24(28)27-18(2)20-9-6-10-21(25)14-20/h3-14,18,26H,15-16H2,1-2H3,(H,27,28)/t18-/m0/s1
InChIKeyRQIBRSJKWAYVKH-SFHVURJKSA-N
XLogP4.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 43873557
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873559
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402094
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28555152
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402102
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28554860
N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide
CID 43873669
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126392144
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
CID 28557015
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28555099

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide (CID 28555179) is 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide is Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N[C@@H](C)c1cccc(Br)c1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide?
The InChIKey is RQIBRSJKWAYVKH-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25BrN2O4S/c1-17-13-22(32(29,30)26-15-19-7-4-3-5-8-19)11-12-23(17)31-16-24(28)27-18(2)20-9-6-10-21(25)14-20/h3-14,18,26H,15-16H2,1-2H3,(H,27,28)/t18-/m0/s1.
What are the key properties of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide?
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide has a molecular weight of 517.45 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 28555179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).