[(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate

C24H30N2O8S — CID 11884105

IUPAC[(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C24H30N2O8S/c1-14(2)15-5-7-16(8-6-15)25-24(27)34-20-13-33-22-18(12-32-23(20)22)26-35(28,29)21-11-17(30-3)9-10-19(21)31-4/h5-11,14,18,20,22-23,26H,12-13H2,1-4H3,(H,25,27)/t18-,20+,22+,23+/m0/s1
InChIKeyCPCMUTZHCAWRIY-CVNLYIMZSA-N
MW506.58 g/mol
LogP2.89
Rot. Bonds8

About [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate

[(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate (PubChem CID 11884105) has the molecular formula C24H30N2O8S and a molecular weight of 506.58 g/mol. Its IUPAC name is [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name[(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate
PubChem CID11884105
Molecular FormulaC24H30N2O8S
Molecular Weight506.58 g/mol
Exact Mass506.17
IUPAC Name[(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C24H30N2O8S/c1-14(2)15-5-7-16(8-6-15)25-24(27)34-20-13-33-22-18(12-32-23(20)22)26-35(28,29)21-11-17(30-3)9-10-19(21)31-4/h5-11,14,18,20,22-23,26H,12-13H2,1-4H3,(H,25,27)/t18-,20+,22+,23+/m0/s1
InChIKeyCPCMUTZHCAWRIY-CVNLYIMZSA-N
XLogP2.89
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate (CID 11884105) is [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate is COc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is CPCMUTZHCAWRIY-CVNLYIMZSA-N. The full InChI is InChI=1S/C24H30N2O8S/c1-14(2)15-5-7-16(8-6-15)25-24(27)34-20-13-33-22-18(12-32-23(20)22)26-35(28,29)21-11-17(30-3)9-10-19(21)31-4/h5-11,14,18,20,22-23,26H,12-13H2,1-4H3,(H,25,27)/t18-,20+,22+,23+/m0/s1.
What are the key properties of [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate?
[(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 506.58 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 11884105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).