3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide

C26H34N2O6S — CID 133200026

About 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide (PubChem CID 133200026) has the molecular formula C26H34N2O6S and a molecular weight of 502.63 g/mol. Its IUPAC name is 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide.

Molecular Properties

• Compound Name: 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
• PubChem CID: 133200026
• Molecular Formula: C26H34N2O6S
• Molecular Weight: 502.63 g/mol
• Exact Mass: 502.21
• IUPAC Name: 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
• SMILES: COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC1CC(C)(C)Oc2cc(C)ccc21
• InChI: InChI=1S/C26H34N2O6S/c1-18-5-8-21-22(17-26(2,3)34-24(21)15-18)27-25(29)10-6-19-16-20(7-9-23(19)32-4)35(30,31)28-11-13-33-14-12-28/h5,7-9,15-16,22H,6,10-14,17H2,1-4H3,(H,27,29)
• InChIKey: HWVBVIYEBNYAET-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.63
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide?

The IUPAC name of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide (CID 133200026) is 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide.

What is the SMILES notation for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide?

The canonical SMILES for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC1CC(C)(C)Oc2cc(C)ccc21.

What is the InChIKey of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide?

The InChIKey is HWVBVIYEBNYAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6S/c1-18-5-8-21-22(17-26(2,3)34-24(21)15-18)27-25(29)10-6-19-16-20(7-9-23(19)32-4)35(30,31)28-11-13-33-14-12-28/h5,7-9,15-16,22H,6,10-14,17H2,1-4H3,(H,27,29).

What are the key properties of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide?

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide has a molecular weight of 502.63 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide is sourced from PubChem (CID 133200026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).