N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C20H26N4O3S2 — CID 78807778

About N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 78807778) has the molecular formula C20H26N4O3S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 78807778
• Molecular Formula: C20H26N4O3S2
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.14
• IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
• SMILES: O=C(CN1CCN(c2ccccn2)CC1)N(Cc1cccs1)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C20H26N4O3S2/c25-20(15-22-8-10-23(11-9-22)19-5-1-2-7-21-19)24(14-18-4-3-12-28-18)17-6-13-29(26,27)16-17/h1-5,7,12,17H,6,8-11,13-16H2
• InChIKey: GNFUQVHPARWVTR-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 73.82 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 78807778) is N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)N(Cc1cccs1)C1CCS(=O)(=O)C1.

What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is GNFUQVHPARWVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S2/c25-20(15-22-8-10-23(11-9-22)19-5-1-2-7-21-19)24(14-18-4-3-12-28-18)17-6-13-29(26,27)16-17/h1-5,7,12,17H,6,8-11,13-16H2.

What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?

N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 434.59 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 78807778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).