N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C24H24Br2N2O3S — CID 43871726

IUPACN-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCC(NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C24H24Br2N2O3S/c1-18(20-8-5-9-22(26)16-20)27-24(29)17-28(15-14-19-6-3-2-4-7-19)32(30,31)23-12-10-21(25)11-13-23/h2-13,16,18H,14-15,17H2,1H3,(H,27,29)
InChIKeyMYTKHKJAIPFZGL-UHFFFAOYSA-N
MW580.34 g/mol
LogP5.32
Rot. Bonds9

About N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 43871726) has the molecular formula C24H24Br2N2O3S and a molecular weight of 580.34 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID43871726
Molecular FormulaC24H24Br2N2O3S
Molecular Weight580.34 g/mol
Exact Mass577.99
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCC(NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C24H24Br2N2O3S/c1-18(20-8-5-9-22(26)16-20)27-24(29)17-28(15-14-19-6-3-2-4-7-19)32(30,31)23-12-10-21(25)11-13-23/h2-13,16,18H,14-15,17H2,1H3,(H,27,29)
InChIKeyMYTKHKJAIPFZGL-UHFFFAOYSA-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-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861136
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 94861120
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43871639
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 28543712
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28543715
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 30038177
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861154
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 94861131
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43872651
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543198

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 43871726) is N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is CC(NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is MYTKHKJAIPFZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2N2O3S/c1-18(20-8-5-9-22(26)16-20)27-24(29)17-28(15-14-19-6-3-2-4-7-19)32(30,31)23-12-10-21(25)11-13-23/h2-13,16,18H,14-15,17H2,1H3,(H,27,29).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-[1-(3-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-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 43871726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).