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

C29H37ClN2O7S — CID 23930705

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

(2R,4R)-4-(4-chlorophenyl)-N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23930705) has the molecular formula C29H37ClN2O7S and a molecular weight of 593.14 g/mol. Its IUPAC name is (2R,4R)-4-(4-chlorophenyl)-N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2R,4R)-4-(4-chlorophenyl)-N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 23930705
• Molecular Formula: C29H37ClN2O7S
• Molecular Weight: 593.14 g/mol
• Exact Mass: 592.20
• IUPAC Name: (2R,4R)-4-(4-chlorophenyl)-N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccc(Cl)cc3)C=C(C(=O)NC3CCCCC3)O2)cc1
• InChI: InChI=1S/C29H37ClN2O7S/c1-37-25-11-13-26(14-12-25)40(35,36)32(15-17-33)16-18-38-28-20-22(21-7-9-23(30)10-8-21)19-27(39-28)29(34)31-24-5-3-2-4-6-24/h7-14,19,22,24,28,33H,2-6,15-18,20H2,1H3,(H,31,34)/t22-,28+/m0/s1
• InChIKey: IDWZRMBHRWCLEX-RBISFHTESA-N
• XLogP: 4.21
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.14
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R,4R)-4-(4-chlorophenyl)-N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide (CID 23930705) is (2R,4R)-4-(4-chlorophenyl)-N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

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

The canonical SMILES for (2R,4R)-4-(4-chlorophenyl)-N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide is COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccc(Cl)cc3)C=C(C(=O)NC3CCCCC3)O2)cc1.

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

The InChIKey is IDWZRMBHRWCLEX-RBISFHTESA-N. The full InChI is InChI=1S/C29H37ClN2O7S/c1-37-25-11-13-26(14-12-25)40(35,36)32(15-17-33)16-18-38-28-20-22(21-7-9-23(30)10-8-21)19-27(39-28)29(34)31-24-5-3-2-4-6-24/h7-14,19,22,24,28,33H,2-6,15-18,20H2,1H3,(H,31,34)/t22-,28+/m0/s1.

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

(2R,4R)-4-(4-chlorophenyl)-N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 593.14 g/mol, XLogP of 4.21, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-4-(4-chlorophenyl)-N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23930705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).