N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide

C20H25BrN2O4S — CID 28554997

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C20H25BrN2O4S/c1-13(2)23-28(25,26)18-9-10-19(14(3)11-18)27-12-20(24)22-15(4)16-5-7-17(21)8-6-16/h5-11,13,15,23H,12H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyPDONJFKGCPIWPH-OAHLLOKOSA-N
MW469.40 g/mol
LogP3.70
Rot. Bonds8

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 28554997) has the molecular formula C20H25BrN2O4S and a molecular weight of 469.40 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID28554997
Molecular FormulaC20H25BrN2O4S
Molecular Weight469.40 g/mol
Exact Mass468.07
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C20H25BrN2O4S/c1-13(2)23-28(25,26)18-9-10-19(14(3)11-18)27-12-20(24)22-15(4)16-5-7-17(21)8-6-16/h5-11,13,15,23H,12H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyPDONJFKGCPIWPH-OAHLLOKOSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 43873557
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28554860
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554792
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
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554766
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126392203
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814007
2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 41032284
N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873751
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28555179

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 28554997) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide is Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is PDONJFKGCPIWPH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25BrN2O4S/c1-13(2)23-28(25,26)18-9-10-19(14(3)11-18)27-12-20(24)22-15(4)16-5-7-17(21)8-6-16/h5-11,13,15,23H,12H2,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 469.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 28554997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).