3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

C28H33N3O6S — CID 93472978

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 93472978) has the molecular formula C28H33N3O6S and a molecular weight of 539.65 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

• Compound Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
• PubChem CID: 93472978
• Molecular Formula: C28H33N3O6S
• Molecular Weight: 539.65 g/mol
• Exact Mass: 539.21
• IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
• SMILES: CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCOCC3)c2)cc1
• InChI: InChI=1S/C28H33N3O6S/c1-3-37-25-11-13-26(14-12-25)38(33,34)30-23-6-4-5-22(19-23)28(32)29-20-27(31-15-17-36-18-16-31)21-7-9-24(35-2)10-8-21/h4-14,19,27,30H,3,15-18,20H2,1-2H3,(H,29,32)/t27-/m0/s1
• InChIKey: KEGFBNVVYCBHPP-MHZLTWQESA-N
• XLogP: 3.70
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.65
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?

The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (CID 93472978) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.

What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?

The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCOCC3)c2)cc1.

What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?

The InChIKey is KEGFBNVVYCBHPP-MHZLTWQESA-N. The full InChI is InChI=1S/C28H33N3O6S/c1-3-37-25-11-13-26(14-12-25)38(33,34)30-23-6-4-5-22(19-23)28(32)29-20-27(31-15-17-36-18-16-31)21-7-9-24(35-2)10-8-21/h4-14,19,27,30H,3,15-18,20H2,1-2H3,(H,29,32)/t27-/m0/s1.

What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 539.65 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 93472978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).