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

C23H20Br2Cl2N2O3S — CID 99865843

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

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide (PubChem CID 99865843) has the molecular formula C23H20Br2Cl2N2O3S and a molecular weight of 635.21 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
• PubChem CID: 99865843
• Molecular Formula: C23H20Br2Cl2N2O3S
• Molecular Weight: 635.21 g/mol
• Exact Mass: 631.89
• IUPAC Name: N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
• SMILES: C[C@H](NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1
• InChI: InChI=1S/C23H20Br2Cl2N2O3S/c1-15(16-3-2-4-19(25)11-16)28-23(30)14-29(13-17-5-8-20(26)12-22(17)27)33(31,32)21-9-6-18(24)7-10-21/h2-12,15H,13-14H2,1H3,(H,28,30)/t15-/m0/s1
• InChIKey: LVNGJUMPJLSGLU-HNNXBMFYSA-N
• XLogP: 6.59
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.21
LogP ≤ 5	6.59
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-[(2,4-dichlorophenyl)methyl]amino]acetamide?

The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide (CID 99865843) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide.

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

The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide is C[C@H](NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1.

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

The InChIKey is LVNGJUMPJLSGLU-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H20Br2Cl2N2O3S/c1-15(16-3-2-4-19(25)11-16)28-23(30)14-29(13-17-5-8-20(26)12-22(17)27)33(31,32)21-9-6-18(24)7-10-21/h2-12,15H,13-14H2,1H3,(H,28,30)/t15-/m0/s1.

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

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide has a molecular weight of 635.21 g/mol, XLogP of 6.59, 8 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-[(2,4-dichlorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 99865843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).