2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide

C21H27N2O3S+ — CID 2087247

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide (PubChem CID 2087247) has the molecular formula C21H27N2O3S+ and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
• PubChem CID: 2087247
• Molecular Formula: C21H27N2O3S+
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.17
• IUPAC Name: 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
• SMILES: O=C(COc1ccc2c(c1)CCC2)NC[C@@H](c1cccs1)[NH+]1CCOCC1
• InChI: InChI=1S/C21H26N2O3S/c24-21(15-26-18-7-6-16-3-1-4-17(16)13-18)22-14-19(20-5-2-12-27-20)23-8-10-25-11-9-23/h2,5-7,12-13,19H,1,3-4,8-11,14-15H2,(H,22,24)/p+1/t19-/m0/s1
• InChIKey: FHJSIKWDHYTQDN-IBGZPJMESA-O
• XLogP: 1.39
• TPSA: 52.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide?

The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide (CID 2087247) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide.

What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide?

The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide is O=C(COc1ccc2c(c1)CCC2)NC[C@@H](c1cccs1)[NH+]1CCOCC1.

What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide?

The InChIKey is FHJSIKWDHYTQDN-IBGZPJMESA-O. The full InChI is InChI=1S/C21H26N2O3S/c24-21(15-26-18-7-6-16-3-1-4-17(16)13-18)22-14-19(20-5-2-12-27-20)23-8-10-25-11-9-23/h2,5-7,12-13,19H,1,3-4,8-11,14-15H2,(H,22,24)/p+1/t19-/m0/s1.

What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide?

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 387.53 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 2087247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).