N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C24H23BrCl2N2O3S — CID 94861366

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESC[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C24H23BrCl2N2O3S/c1-17(19-7-9-20(25)10-8-19)28-24(30)16-29(14-13-18-5-3-2-4-6-18)33(31,32)23-15-21(26)11-12-22(23)27/h2-12,15,17H,13-14,16H2,1H3,(H,28,30)/t17-/m1/s1
InChIKeyARHPZQMUYOGBEH-QGZVFWFLSA-N
MW570.34 g/mol
LogP5.87
Rot. Bonds9

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 94861366) has the molecular formula C24H23BrCl2N2O3S and a molecular weight of 570.34 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID94861366
Molecular FormulaC24H23BrCl2N2O3S
Molecular Weight570.34 g/mol
Exact Mass568.00
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESC[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C24H23BrCl2N2O3S/c1-17(19-7-9-20(25)10-8-19)28-24(30)16-29(14-13-18-5-3-2-4-6-18)33(31,32)23-15-21(26)11-12-22(23)27/h2-12,15,17H,13-14,16H2,1H3,(H,28,30)/t17-/m1/s1
InChIKeyARHPZQMUYOGBEH-QGZVFWFLSA-N
XLogP5.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.34
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016058
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543198
N-[1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 133255072
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544415
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 30038177
N-(2,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016543
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861154
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547797
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861136
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401016
N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 43871726

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 94861366) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is C[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is ARHPZQMUYOGBEH-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23BrCl2N2O3S/c1-17(19-7-9-20(25)10-8-19)28-24(30)16-29(14-13-18-5-3-2-4-6-18)33(31,32)23-15-21(26)11-12-22(23)27/h2-12,15,17H,13-14,16H2,1H3,(H,28,30)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 570.34 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 94861366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).