benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide

C120H105BrCl2N2O14S5 — CID 158698036

About benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide

benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide (PubChem CID 158698036) has the molecular formula C120H105BrCl2N2O14S5 and a molecular weight of 2110.30 g/mol. Its IUPAC name is benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide.

Molecular Properties

• Compound Name: benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide
• PubChem CID: 158698036
• Molecular Formula: C120H105BrCl2N2O14S5
• Molecular Weight: 2110.30 g/mol
• Exact Mass: 2106.47
• IUPAC Name: benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide
• SMILES: COc1ccc(-c2ccc(Sc3ccccc3CC(=O)NO)cc2)cc1.COc1ccc(-c2ccc(Sc3ccccc3CC(=O)NOCc3ccccc3)cc2)cc1.COc1ccc(-c2ccc(Sc3ccccc3CC(=O)O)cc2)cc1.COc1ccc(-c2ccc(Sc3ccccc3CC(=O)OCc3ccccc3)cc2)cc1.ClCCl.O=C(Cc1ccccc1Sc1ccc(Br)cc1)OCc1ccccc1
• InChI: InChI=1S/C28H25NO3S.C28H24O3S.C21H17BrO2S.C21H19NO3S.C21H18O3S.CH2Cl2/c1-31-25-15-11-22(12-16-25)23-13-17-26(18-14-23)33-27-10-6-5-9-24(27)19-28(30)29-32-20-21-7-3-2-4-8-21;1-30-25-15-11-22(12-16-25)23-13-17-26(18-14-23)32-27-10-6-5-9-24(27)19-28(29)31-20-21-7-3-2-4-8-21;22-18-10-12-19(13-11-18)25-20-9-5-4-8-17(20)14-21(23)24-15-16-6-2-1-3-7-16;1-25-18-10-6-15(7-11-18)16-8-12-19(13-9-16)26-20-5-3-2-4-17(20)14-21(23)22-24;1-24-18-10-6-15(7-11-18)16-8-12-19(13-9-16)25-20-5-3-2-4-17(20)14-21(22)23;2-1-3/h2-18H,19-20H2,1H3,(H,29,30);2-18H,19-20H2,1H3;1-13H,14-15H2;2-13,24H,14H2,1H3,(H,22,23);2-13H,14H2,1H3,(H,22,23);1H2
• InChIKey: IHEOYLZRZXVPEK-UHFFFAOYSA-N
• XLogP: 30.11
• TPSA: 214.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 35
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.30
LogP ≤ 5	30.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide?

The IUPAC name of benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide (CID 158698036) is benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide.

What is the SMILES notation for benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide?

The canonical SMILES for benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide is COc1ccc(-c2ccc(Sc3ccccc3CC(=O)NO)cc2)cc1.COc1ccc(-c2ccc(Sc3ccccc3CC(=O)NOCc3ccccc3)cc2)cc1.COc1ccc(-c2ccc(Sc3ccccc3CC(=O)O)cc2)cc1.COc1ccc(-c2ccc(Sc3ccccc3CC(=O)OCc3ccccc3)cc2)cc1.ClCCl.O=C(Cc1ccccc1Sc1ccc(Br)cc1)OCc1ccccc1.

What is the InChIKey of benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide?

The InChIKey is IHEOYLZRZXVPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3S.C28H24O3S.C21H17BrO2S.C21H19NO3S.C21H18O3S.CH2Cl2/c1-31-25-15-11-22(12-16-25)23-13-17-26(18-14-23)33-27-10-6-5-9-24(27)19-28(30)29-32-20-21-7-3-2-4-8-21;1-30-25-15-11-22(12-16-25)23-13-17-26(18-14-23)32-27-10-6-5-9-24(27)19-28(29)31-20-21-7-3-2-4-8-21;22-18-10-12-19(13-11-18)25-20-9-5-4-8-17(20)14-21(23)24-15-16-6-2-1-3-7-16;1-25-18-10-6-15(7-11-18)16-8-12-19(13-9-16)26-20-5-3-2-4-17(20)14-21(23)22-24;1-24-18-10-6-15(7-11-18)16-8-12-19(13-9-16)25-20-5-3-2-4-17(20)14-21(22)23;2-1-3/h2-18H,19-20H2,1H3,(H,29,30);2-18H,19-20H2,1H3;1-13H,14-15H2;2-13,24H,14H2,1H3,(H,22,23);2-13H,14H2,1H3,(H,22,23);1H2.

What are the key properties of benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide?

benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide has a molecular weight of 2110.30 g/mol, XLogP of 30.11, 35 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide is sourced from PubChem (CID 158698036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).