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

C24H24Br2N2O3S — CID 94861126

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESC[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H24Br2N2O3S/c1-18(20-7-9-21(25)10-8-20)27-24(29)17-28(16-15-19-5-3-2-4-6-19)32(30,31)23-13-11-22(26)12-14-23/h2-14,18H,15-17H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyAFZLQBSFTYNZNU-GOSISDBHSA-N
MW580.34 g/mol
LogP5.32
Rot. Bonds9

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

N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 94861126) has the molecular formula C24H24Br2N2O3S and a molecular weight of 580.34 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID94861126
Molecular FormulaC24H24Br2N2O3S
Molecular Weight580.34 g/mol
Exact Mass577.99
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESC[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H24Br2N2O3S/c1-18(20-7-9-21(25)10-8-20)27-24(29)17-28(16-15-19-5-3-2-4-6-19)32(30,31)23-13-11-22(26)12-14-23/h2-14,18H,15-17H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyAFZLQBSFTYNZNU-GOSISDBHSA-N
XLogP5.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.34
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 43871726
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861136
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861154
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 30038177
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543198
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 94861131
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401016
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861366
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28543780
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543745
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544127
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 94861126) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is C[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is AFZLQBSFTYNZNU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24Br2N2O3S/c1-18(20-7-9-21(25)10-8-20)27-24(29)17-28(16-15-19-5-3-2-4-6-19)32(30,31)23-13-11-22(26)12-14-23/h2-14,18H,15-17H2,1H3,(H,27,29)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 580.34 g/mol, XLogP of 5.32, 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-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 94861126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).