N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide

C21H25NO7S — CID 11886502

IUPACN-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCc2ccccc2)c1
InChIInChI=1S/C21H25NO7S/c1-25-15-8-9-17(26-2)19(10-15)30(23,24)22-16-12-28-21-18(13-29-20(16)21)27-11-14-6-4-3-5-7-14/h3-10,16,18,20-22H,11-13H2,1-2H3/t16-,18+,20+,21+/m0/s1
InChIKeyZNMQUXGCJQVFGH-RCVZYCBYSA-N
MW435.50 g/mol
LogP1.73
Rot. Bonds8

About N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide

N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 11886502) has the molecular formula C21H25NO7S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide
PubChem CID11886502
Molecular FormulaC21H25NO7S
Molecular Weight435.50 g/mol
Exact Mass435.14
IUPAC NameN-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCc2ccccc2)c1
InChIInChI=1S/C21H25NO7S/c1-25-15-8-9-17(26-2)19(10-15)30(23,24)22-16-12-28-21-18(13-29-20(16)21)27-11-14-6-4-3-5-7-14/h3-10,16,18,20-22H,11-13H2,1-2H3/t16-,18+,20+,21+/m0/s1
InChIKeyZNMQUXGCJQVFGH-RCVZYCBYSA-N
XLogP1.73
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide with MolForge

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Related Compounds

[(3S,3aR,6R,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate
CID 11884073
[(3S,3aS,6S,6aS)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-acetylphenyl)carbamate
CID 162954459
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methoxyacetamide
CID 11886490
2-methoxy-N-(6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)acetamide
CID 73134732
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methoxy-5-pyrazol-1-ylbenzenesulfonamide
CID 146045434
(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180
2-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]benzoic acid
CID 26763421
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide (CID 11886502) is N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCc2ccccc2)c1.
What is the InChIKey of N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is ZNMQUXGCJQVFGH-RCVZYCBYSA-N. The full InChI is InChI=1S/C21H25NO7S/c1-25-15-8-9-17(26-2)19(10-15)30(23,24)22-16-12-28-21-18(13-29-20(16)21)27-11-14-6-4-3-5-7-14/h3-10,16,18,20-22H,11-13H2,1-2H3/t16-,18+,20+,21+/m0/s1.
What are the key properties of N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide?
N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 435.50 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 11886502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).