2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide

C96H88ClFN12O8S5 — CID 158403985

About 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide

2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide (PubChem CID 158403985) has the molecular formula C96H88ClFN12O8S5 and a molecular weight of 1752.62 g/mol. Its IUPAC name is 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide
• PubChem CID: 158403985
• Molecular Formula: C96H88ClFN12O8S5
• Molecular Weight: 1752.62 g/mol
• Exact Mass: 1750.51
• IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide
• SMILES: CN1CCN(CCCCc2cccc(CC(=O)Nc3csc(-c4ccncc4)c3)c2)CC1.COc1cccc(CC(=O)Nc2csc(-c3ccncc3)c2)c1.O=C(Cc1cc2c(cc1Cl)OCO2)Nc1csc(-c2ccncc2)c1.O=C(Cc1ccc(F)cc1)Nc1csc(-c2ccncc2)c1.O=C(Cc1ccccc1)Nc1csc(-c2ccncc2)c1
• InChI: InChI=1S/C26H32N4OS.C18H13ClN2O3S.C18H16N2O2S.C17H13FN2OS.C17H14N2OS/c1-29-13-15-30(16-14-29)12-3-2-5-21-6-4-7-22(17-21)18-26(31)28-24-19-25(32-20-24)23-8-10-27-11-9-23;19-14-8-16-15(23-10-24-16)5-12(14)6-18(22)21-13-7-17(25-9-13)11-1-3-20-4-2-11;1-22-16-4-2-3-13(9-16)10-18(21)20-15-11-17(23-12-15)14-5-7-19-8-6-14;18-14-3-1-12(2-4-14)9-17(21)20-15-10-16(22-11-15)13-5-7-19-8-6-13;20-17(10-13-4-2-1-3-5-13)19-15-11-16(21-12-15)14-6-8-18-9-7-14/h4,6-11,17,19-20H,2-3,5,12-16,18H2,1H3,(H,28,31);1-5,7-9H,6,10H2,(H,21,22);2-9,11-12H,10H2,1H3,(H,20,21);1-8,10-11H,9H2,(H,20,21);1-9,11-12H,10H2,(H,19,20)
• InChIKey: GYLIJVWIISRWLL-UHFFFAOYSA-N
• XLogP: 21.06
• TPSA: 244.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.62
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide?

The IUPAC name of 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide (CID 158403985) is 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide.

What is the SMILES notation for 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide?

The canonical SMILES for 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide is CN1CCN(CCCCc2cccc(CC(=O)Nc3csc(-c4ccncc4)c3)c2)CC1.COc1cccc(CC(=O)Nc2csc(-c3ccncc3)c2)c1.O=C(Cc1cc2c(cc1Cl)OCO2)Nc1csc(-c2ccncc2)c1.O=C(Cc1ccc(F)cc1)Nc1csc(-c2ccncc2)c1.O=C(Cc1ccccc1)Nc1csc(-c2ccncc2)c1.

What is the InChIKey of 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide?

The InChIKey is GYLIJVWIISRWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4OS.C18H13ClN2O3S.C18H16N2O2S.C17H13FN2OS.C17H14N2OS/c1-29-13-15-30(16-14-29)12-3-2-5-21-6-4-7-22(17-21)18-26(31)28-24-19-25(32-20-24)23-8-10-27-11-9-23;19-14-8-16-15(23-10-24-16)5-12(14)6-18(22)21-13-7-17(25-9-13)11-1-3-20-4-2-11;1-22-16-4-2-3-13(9-16)10-18(21)20-15-11-17(23-12-15)14-5-7-19-8-6-14;18-14-3-1-12(2-4-14)9-17(21)20-15-10-16(22-11-15)13-5-7-19-8-6-13;20-17(10-13-4-2-1-3-5-13)19-15-11-16(21-12-15)14-6-8-18-9-7-14/h4,6-11,17,19-20H,2-3,5,12-16,18H2,1H3,(H,28,31);1-5,7-9H,6,10H2,(H,21,22);2-9,11-12H,10H2,1H3,(H,20,21);1-8,10-11H,9H2,(H,20,21);1-9,11-12H,10H2,(H,19,20).

What are the key properties of 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide?

2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide has a molecular weight of 1752.62 g/mol, XLogP of 21.06, 26 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide is sourced from PubChem (CID 158403985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).