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

C29H43N3O11S — CID 59090772

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

[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]sulfonylamino]-2-hydroxypentan-3-yl]carbamate (PubChem CID 59090772) has the molecular formula C29H43N3O11S and a molecular weight of 641.74 g/mol. Its IUPAC name is [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]sulfonylamino]-2-hydroxypentan-3-yl]carbamate.

Molecular Properties

• Compound Name: [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]sulfonylamino]-2-hydroxypentan-3-yl]carbamate
• PubChem CID: 59090772
• Molecular Formula: C29H43N3O11S
• Molecular Weight: 641.74 g/mol
• Exact Mass: 641.26
• IUPAC Name: [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]sulfonylamino]-2-hydroxypentan-3-yl]carbamate
• SMILES: CC[C@H](NC(=O)OC1CO[C@H]2OCC[C@@H]12)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1cccc(OCC(=O)N2CCOCC2)c1
• InChI: InChI=1S/C29H43N3O11S/c1-2-24(30-29(35)42-26-18-41-28-23(26)10-13-39-28)25(33)17-32(43-20-6-3-4-7-20)44(36,37)22-9-5-8-21(16-22)40-19-27(34)31-11-14-38-15-12-31/h5,8-9,16,20,23-26,28,33H,2-4,6-7,10-15,17-19H2,1H3,(H,30,35)/t23-,24-,25+,26?,28+/m0/s1
• InChIKey: IRHJXWHALZLXOL-XVDKUNPHSA-N
• XLogP: 1.42
• TPSA: 162.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.74
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]sulfonylamino]-2-hydroxypentan-3-yl]carbamate (CID 59090772) is [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]sulfonylamino]-2-hydroxypentan-3-yl]carbamate.

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

The canonical SMILES for [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]sulfonylamino]-2-hydroxypentan-3-yl]carbamate is CC[C@H](NC(=O)OC1CO[C@H]2OCC[C@@H]12)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1cccc(OCC(=O)N2CCOCC2)c1.

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

The InChIKey is IRHJXWHALZLXOL-XVDKUNPHSA-N. The full InChI is InChI=1S/C29H43N3O11S/c1-2-24(30-29(35)42-26-18-41-28-23(26)10-13-39-28)25(33)17-32(43-20-6-3-4-7-20)44(36,37)22-9-5-8-21(16-22)40-19-27(34)31-11-14-38-15-12-31/h5,8-9,16,20,23-26,28,33H,2-4,6-7,10-15,17-19H2,1H3,(H,30,35)/t23-,24-,25+,26?,28+/m0/s1.

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

[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]sulfonylamino]-2-hydroxypentan-3-yl]carbamate has a molecular weight of 641.74 g/mol, XLogP of 1.42, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3S)-1-[cyclopentyloxy-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]sulfonylamino]-2-hydroxypentan-3-yl]carbamate is sourced from PubChem (CID 59090772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).