N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide

C19H22BrClN2O5S — CID 28556276

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide
SMILESCOCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C19H22BrClN2O5S/c1-13(14-3-5-15(20)6-4-14)23-19(24)12-28-18-8-7-16(11-17(18)21)29(25,26)22-9-10-27-2/h3-8,11,13,22H,9-10,12H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeySOPNIBUEBHQBFF-CYBMUJFWSA-N
MW505.82 g/mol
LogP3.28
Rot. Bonds10

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide (PubChem CID 28556276) has the molecular formula C19H22BrClN2O5S and a molecular weight of 505.82 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide
PubChem CID28556276
Molecular FormulaC19H22BrClN2O5S
Molecular Weight505.82 g/mol
Exact Mass504.01
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide
SMILESCOCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C19H22BrClN2O5S/c1-13(14-3-5-15(20)6-4-14)23-19(24)12-28-18-8-7-16(11-17(18)21)29(25,26)22-9-10-27-2/h3-8,11,13,22H,9-10,12H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeySOPNIBUEBHQBFF-CYBMUJFWSA-N
XLogP3.28
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873751
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28556446
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide
CID 28556470
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28554997
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 43873557
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 43873232
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906437
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402290
N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 43872610

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide (CID 28556276) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide is COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide?
The InChIKey is SOPNIBUEBHQBFF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22BrClN2O5S/c1-13(14-3-5-15(20)6-4-14)23-19(24)12-28-18-8-7-16(11-17(18)21)29(25,26)22-9-10-27-2/h3-8,11,13,22H,9-10,12H2,1-2H3,(H,23,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide has a molecular weight of 505.82 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 28556276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).