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

C26H38N2O7S — CID 23902639

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

(2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23902639) has the molecular formula C26H38N2O7S and a molecular weight of 522.66 g/mol. Its IUPAC name is (2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 23902639
• Molecular Formula: C26H38N2O7S
• Molecular Weight: 522.66 g/mol
• Exact Mass: 522.24
• IUPAC Name: (2R,4S)-4-cyclohexyl-N-cyclopropyl-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](C3CCCCC3)C=C(C(=O)NC3CC3)O2)cc1
• InChI: InChI=1S/C26H38N2O7S/c1-33-22-9-11-23(12-10-22)36(31,32)28(13-15-29)14-16-34-25-18-20(19-5-3-2-4-6-19)17-24(35-25)26(30)27-21-7-8-21/h9-12,17,19-21,25,29H,2-8,13-16,18H2,1H3,(H,27,30)/t20-,25+/m0/s1
• InChIKey: QCSOMZKILAWEKJ-NBGIEHNGSA-N
• XLogP: 2.80
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.66
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide (CID 23902639) is (2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

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

The canonical SMILES for (2R,4S)-4-cyclohexyl-N-cyclopropyl-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](C3CCCCC3)C=C(C(=O)NC3CC3)O2)cc1.

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

The InChIKey is QCSOMZKILAWEKJ-NBGIEHNGSA-N. The full InChI is InChI=1S/C26H38N2O7S/c1-33-22-9-11-23(12-10-22)36(31,32)28(13-15-29)14-16-34-25-18-20(19-5-3-2-4-6-19)17-24(35-25)26(30)27-21-7-8-21/h9-12,17,19-21,25,29H,2-8,13-16,18H2,1H3,(H,27,30)/t20-,25+/m0/s1.

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

(2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 522.66 g/mol, XLogP of 2.80, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23902639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).