[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate

C24H36N2O8S — CID 59090721

About [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate (PubChem CID 59090721) has the molecular formula C24H36N2O8S and a molecular weight of 512.63 g/mol. Its IUPAC name is [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate.

Molecular Properties

• Compound Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate
• PubChem CID: 59090721
• Molecular Formula: C24H36N2O8S
• Molecular Weight: 512.63 g/mol
• Exact Mass: 512.22
• IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate
• SMILES: CCC(NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc(C)cc1
• InChI: InChI=1S/C24H36N2O8S/c1-3-20(25-24(28)33-22-15-32-23-19(22)12-13-31-23)21(27)14-26(34-17-6-4-5-7-17)35(29,30)18-10-8-16(2)9-11-18/h8-11,17,19-23,27H,3-7,12-15H2,1-2H3,(H,25,28)/t19-,20?,21+,22-,23+/m0/s1
• InChIKey: NOPFQSAMETWYEL-VMTQICNPSA-N
• XLogP: 2.49
• TPSA: 123.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.63
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate?

The IUPAC name of [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate (CID 59090721) is [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate.

What is the SMILES notation for [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate?

The canonical SMILES for [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate is CCC(NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc(C)cc1.

What is the InChIKey of [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate?

The InChIKey is NOPFQSAMETWYEL-VMTQICNPSA-N. The full InChI is InChI=1S/C24H36N2O8S/c1-3-20(25-24(28)33-22-15-32-23-19(22)12-13-31-23)21(27)14-26(34-17-6-4-5-7-17)35(29,30)18-10-8-16(2)9-11-18/h8-11,17,19-23,27H,3-7,12-15H2,1-2H3,(H,25,28)/t19-,20?,21+,22-,23+/m0/s1.

What are the key properties of [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate?

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate has a molecular weight of 512.63 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R)-1-[cyclopentyloxy-(4-methylphenyl)sulfonylamino]-2-hydroxypentan-3-yl]carbamate is sourced from PubChem (CID 59090721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).