N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide

C19H23BrN2O4S — CID 43874356

IUPACN-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCCN(c1ccc(OCC(=O)NC(C)c2cccc(Br)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23BrN2O4S/c1-4-22(27(3,24)25)17-8-10-18(11-9-17)26-13-19(23)21-14(2)15-6-5-7-16(20)12-15/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyCTCGCNRMWXPROY-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.49
Rot. Bonds8

About N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide

N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 43874356) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID43874356
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCCN(c1ccc(OCC(=O)NC(C)c2cccc(Br)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23BrN2O4S/c1-4-22(27(3,24)25)17-8-10-18(11-9-17)26-13-19(23)21-14(2)15-6-5-7-16(20)12-15/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyCTCGCNRMWXPROY-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 28561063
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552789
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552786
2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906817
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-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 28546941
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide
CID 43888656
N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 43873317
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43888474
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 92649203

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide (CID 43874356) is N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide is CCN(c1ccc(OCC(=O)NC(C)c2cccc(Br)c2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is CTCGCNRMWXPROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-4-22(27(3,24)25)17-8-10-18(11-9-17)26-13-19(23)21-14(2)15-6-5-7-16(20)12-15/h5-12,14H,4,13H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide?
N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 455.37 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 43874356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).