N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

C17H20N2O6S — CID 146041234

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)c2)o1
InChIInChI=1S/C17H20N2O6S/c1-9-3-4-11(14-6-18-10(2)25-14)5-15(9)26(21,22)19-12-7-23-17-13(20)8-24-16(12)17/h3-6,12-13,16-17,19-20H,7-8H2,1-2H3/t12-,13-,16-,17-/m1/s1
InChIKeyMQVAYYGUWHLSIM-BQGCOEIASA-N
MW380.42 g/mol
LogP0.76
Rot. Bonds4

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 146041234) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID146041234
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)c2)o1
InChIInChI=1S/C17H20N2O6S/c1-9-3-4-11(14-6-18-10(2)25-14)5-15(9)26(21,22)19-12-7-23-17-13(20)8-24-16(12)17/h3-6,12-13,16-17,19-20H,7-8H2,1-2H3/t12-,13-,16-,17-/m1/s1
InChIKeyMQVAYYGUWHLSIM-BQGCOEIASA-N
XLogP0.76
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide with MolForge

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Related Compounds

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CID 20958930
N-(2-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958977
N-(3-chloro-2-methylphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958925
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
CID 20958983
N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 46345289
(1S,5R)-9-methyl-7-[2-methyl-5-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 135120650
5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958910
N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20959178
5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 122187167
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958962
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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 146041234) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1ncc(-c2ccc(C)c(S(=O)(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)c2)o1.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is MQVAYYGUWHLSIM-BQGCOEIASA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-9-3-4-11(14-6-18-10(2)25-14)5-15(9)26(21,22)19-12-7-23-17-13(20)8-24-16(12)17/h3-6,12-13,16-17,19-20H,7-8H2,1-2H3/t12-,13-,16-,17-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 146041234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).