N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C20H23N3O4S2 — CID 31217869

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 31217869) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
• PubChem CID: 31217869
• Molecular Formula: C20H23N3O4S2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.11
• IUPAC Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
• SMILES: Cc1ccc(CNC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)n1C
• InChI: InChI=1S/C20H23N3O4S2/c1-15-6-7-17(22(15)2)13-21-19(24)14-27-18-10-8-16(9-11-18)23(3)29(25,26)20-5-4-12-28-20/h4-12H,13-14H2,1-3H3,(H,21,24)
• InChIKey: SOUCIYFZYNBPAT-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 31217869) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is Cc1ccc(CNC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)n1C.

What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

The InChIKey is SOUCIYFZYNBPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-15-6-7-17(22(15)2)13-21-19(24)14-27-18-10-8-16(9-11-18)23(3)29(25,26)20-5-4-12-28-20/h4-12H,13-14H2,1-3H3,(H,21,24).

What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 433.56 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 31217869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).