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

C20H25BrN2O4S — CID 28552786

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H25BrN2O4S/c1-4-14(2)23-28(25,26)19-10-8-18(9-11-19)27-13-20(24)22-15(3)16-6-5-7-17(21)12-16/h5-12,14-15,23H,4,13H2,1-3H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyUOIRSFUGNDZKFS-HUUCEWRRSA-N
MW469.40 g/mol
LogP3.78
Rot. Bonds9

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

N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide (PubChem CID 28552786) has the molecular formula C20H25BrN2O4S and a molecular weight of 469.40 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
PubChem CID28552786
Molecular FormulaC20H25BrN2O4S
Molecular Weight469.40 g/mol
Exact Mass468.07
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H25BrN2O4S/c1-4-14(2)23-28(25,26)19-10-8-18(9-11-19)27-13-20(24)22-15(3)16-6-5-7-17(21)12-16/h5-12,14-15,23H,4,13H2,1-3H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyUOIRSFUGNDZKFS-HUUCEWRRSA-N
XLogP3.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552789
N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
CID 43873421
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 28551898
N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 43873317
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43874356
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 94861649
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873243
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552303
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 43873232

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide (CID 28552786) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide is CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cccc(Br)c2)cc1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
The InChIKey is UOIRSFUGNDZKFS-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H25BrN2O4S/c1-4-14(2)23-28(25,26)19-10-8-18(9-11-19)27-13-20(24)22-15(3)16-6-5-7-17(21)12-16/h5-12,14-15,23H,4,13H2,1-3H3,(H,22,24)/t14-,15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide has a molecular weight of 469.40 g/mol, XLogP of 3.78, 9 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-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 28552786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).