(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide

C29H32N2O7S — CID 23789374

About (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23789374) has the molecular formula C29H32N2O7S and a molecular weight of 552.65 g/mol. Its IUPAC name is (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 23789374
• Molecular Formula: C29H32N2O7S
• Molecular Weight: 552.65 g/mol
• Exact Mass: 552.19
• IUPAC Name: (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccccc3)C=C(C(=O)Nc3ccccc3)O2)cc1
• InChI: InChI=1S/C29H32N2O7S/c1-36-25-12-14-26(15-13-25)39(34,35)31(16-18-32)17-19-37-28-21-23(22-8-4-2-5-9-22)20-27(38-28)29(33)30-24-10-6-3-7-11-24/h2-15,20,23,28,32H,16-19,21H2,1H3,(H,30,33)/t23-,28+/m0/s1
• InChIKey: IIRCMWVEWSEJAB-NEKDWFFYSA-N
• XLogP: 3.75
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.65
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23789374) is (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide is COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccccc3)C=C(C(=O)Nc3ccccc3)O2)cc1.

What is the InChIKey of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is IIRCMWVEWSEJAB-NEKDWFFYSA-N. The full InChI is InChI=1S/C29H32N2O7S/c1-36-25-12-14-26(15-13-25)39(34,35)31(16-18-32)17-19-37-28-21-23(22-8-4-2-5-9-22)20-27(38-28)29(33)30-24-10-6-3-7-11-24/h2-15,20,23,28,32H,16-19,21H2,1H3,(H,30,33)/t23-,28+/m0/s1.

What are the key properties of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide?

(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 552.65 g/mol, XLogP of 3.75, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23789374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).