2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide

C22H20ClNO4S — CID 18274349

About 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 18274349) has the molecular formula C22H20ClNO4S and a molecular weight of 429.93 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 18274349
• Molecular Formula: C22H20ClNO4S
• Molecular Weight: 429.93 g/mol
• Exact Mass: 429.08
• IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
• SMILES: Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C22H20ClNO4S/c1-15-11-16(23)4-6-19(15)28-14-22(25)24(13-18-3-2-10-29-18)17-5-7-20-21(12-17)27-9-8-26-20/h2-7,10-12H,8-9,13-14H2,1H3
• InChIKey: ANXBWYNMZAQPKG-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 48.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.93
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 18274349) is 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2.

What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is ANXBWYNMZAQPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO4S/c1-15-11-16(23)4-6-19(15)28-14-22(25)24(13-18-3-2-10-29-18)17-5-7-20-21(12-17)27-9-8-26-20/h2-7,10-12H,8-9,13-14H2,1H3.

What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide?

2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 429.93 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 18274349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).