N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide

C18H21NO5S2 — CID 9167865

About N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide

N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide (PubChem CID 9167865) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide
• PubChem CID: 9167865
• Molecular Formula: C18H21NO5S2
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.09
• IUPAC Name: N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C18H21NO5S2/c1-12(2)18(20)19-11-17(16-4-3-9-25-16)26(21,22)13-5-6-14-15(10-13)24-8-7-23-14/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,19,20)/t17-/m1/s1
• InChIKey: IESXNKQIXBTYAA-QGZVFWFLSA-N
• XLogP: 2.81
• TPSA: 81.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide?

The IUPAC name of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide (CID 9167865) is N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide.

What is the SMILES notation for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide?

The canonical SMILES for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide is CC(C)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc2c(c1)OCCO2.

What is the InChIKey of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide?

The InChIKey is IESXNKQIXBTYAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO5S2/c1-12(2)18(20)19-11-17(16-4-3-9-25-16)26(21,22)13-5-6-14-15(10-13)24-8-7-23-14/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,19,20)/t17-/m1/s1.

What are the key properties of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide?

N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide has a molecular weight of 395.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide is sourced from PubChem (CID 9167865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).