N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide

C132H155BrClFIN7O7S7 — CID 159895553

About N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide

N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide (PubChem CID 159895553) has the molecular formula C132H155BrClFIN7O7S7 and a molecular weight of 2437.46 g/mol. Its IUPAC name is N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide.

Molecular Properties

• Compound Name: N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide
• PubChem CID: 159895553
• Molecular Formula: C132H155BrClFIN7O7S7
• Molecular Weight: 2437.46 g/mol
• Exact Mass: 2433.79
• IUPAC Name: N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide
• SMILES: CCC(=S)Nc1c(Br)cccc1COc1ccc(C)cc1C.CCC(=S)Nc1c(C)cccc1COc1ccc(C)cc1C.CCC(=S)Nc1c(CC)cccc1COc1ccc(C)cc1C.CCC(=S)Nc1c(COc2ccc(C)cc2C)cccc1C(C)C.CCC(=S)Nc1c(Cl)cccc1COc1ccc(C)cc1C.CCC(=S)Nc1c(F)cccc1COc1ccc(C)cc1C.CCC(=S)Nc1c(I)cccc1COc1ccc(C)cc1C
• InChI: InChI=1S/C21H27NOS.C20H25NOS.C19H23NOS.C18H20BrNOS.C18H20ClNOS.C18H20FNOS.C18H20INOS/c1-6-20(24)22-21-17(8-7-9-18(21)14(2)3)13-23-19-11-10-15(4)12-16(19)5;1-5-16-8-7-9-17(20(16)21-19(23)6-2)13-22-18-11-10-14(3)12-15(18)4;1-5-18(22)20-19-14(3)7-6-8-16(19)12-21-17-10-9-13(2)11-15(17)4;4*1-4-17(22)20-18-14(6-5-7-15(18)19)11-21-16-9-8-12(2)10-13(16)3/h7-12,14H,6,13H2,1-5H3,(H,22,24);7-12H,5-6,13H2,1-4H3,(H,21,23);6-11H,5,12H2,1-4H3,(H,20,22);4*5-10H,4,11H2,1-3H3,(H,20,22)
• InChIKey: NVHIKAWSXXTIEU-UHFFFAOYSA-N
• XLogP: 39.38
• TPSA: 148.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 37
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2437.46
LogP ≤ 5	39.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide?

The IUPAC name of N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide (CID 159895553) is N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide.

What is the SMILES notation for N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide?

The canonical SMILES for N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide is CCC(=S)Nc1c(Br)cccc1COc1ccc(C)cc1C.CCC(=S)Nc1c(C)cccc1COc1ccc(C)cc1C.CCC(=S)Nc1c(CC)cccc1COc1ccc(C)cc1C.CCC(=S)Nc1c(COc2ccc(C)cc2C)cccc1C(C)C.CCC(=S)Nc1c(Cl)cccc1COc1ccc(C)cc1C.CCC(=S)Nc1c(F)cccc1COc1ccc(C)cc1C.CCC(=S)Nc1c(I)cccc1COc1ccc(C)cc1C.

What is the InChIKey of N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide?

The InChIKey is NVHIKAWSXXTIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NOS.C20H25NOS.C19H23NOS.C18H20BrNOS.C18H20ClNOS.C18H20FNOS.C18H20INOS/c1-6-20(24)22-21-17(8-7-9-18(21)14(2)3)13-23-19-11-10-15(4)12-16(19)5;1-5-16-8-7-9-17(20(16)21-19(23)6-2)13-22-18-11-10-14(3)12-15(18)4;1-5-18(22)20-19-14(3)7-6-8-16(19)12-21-17-10-9-13(2)11-15(17)4;4*1-4-17(22)20-18-14(6-5-7-15(18)19)11-21-16-9-8-12(2)10-13(16)3/h7-12,14H,6,13H2,1-5H3,(H,22,24);7-12H,5-6,13H2,1-4H3,(H,21,23);6-11H,5,12H2,1-4H3,(H,20,22);4*5-10H,4,11H2,1-3H3,(H,20,22).

What are the key properties of N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide?

N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide has a molecular weight of 2437.46 g/mol, XLogP of 39.38, 37 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]propanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-propan-2-ylphenyl]propanethioamide is sourced from PubChem (CID 159895553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).