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

C24H24Br2N2O3S — CID 94861136

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

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 94861136) has the molecular formula C24H24Br2N2O3S and a molecular weight of 580.34 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
• PubChem CID: 94861136
• Molecular Formula: C24H24Br2N2O3S
• Molecular Weight: 580.34 g/mol
• Exact Mass: 577.99
• IUPAC Name: N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
• SMILES: C[C@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1
• InChI: 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)/t18-/m0/s1
• InChIKey: MYTKHKJAIPFZGL-SFHVURJKSA-N
• XLogP: 5.32
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.34
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?

The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 94861136) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?

The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is C[C@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1.

What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?

The InChIKey is MYTKHKJAIPFZGL-SFHVURJKSA-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)/t18-/m0/s1.

What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?

N-[(1S)-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-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 94861136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).