N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C19H25N3O3S2 — CID 78900941

About N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 78900941) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 78900941
• Molecular Formula: C19H25N3O3S2
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.13
• IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: O=C(CN1CCCC1c1ccc[nH]1)N(Cc1cccs1)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C19H25N3O3S2/c23-19(13-21-9-2-6-18(21)17-5-1-8-20-17)22(12-16-4-3-10-26-16)15-7-11-27(24,25)14-15/h1,3-5,8,10,15,18,20H,2,6-7,9,11-14H2
• InChIKey: NEJDRVRCDIPCGT-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 73.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 78900941) is N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCCC1c1ccc[nH]1)N(Cc1cccs1)C1CCS(=O)(=O)C1.

What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is NEJDRVRCDIPCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c23-19(13-21-9-2-6-18(21)17-5-1-8-20-17)22(12-16-4-3-10-26-16)15-7-11-27(24,25)14-15/h1,3-5,8,10,15,18,20H,2,6-7,9,11-14H2.

What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?

N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 78900941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).