N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide

C25H26N2O5S — CID 10928741

IUPACN-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccco2)[C@@H]2C[C@H]3CO[C@](C)(c4ccccc4)N3C2=O)cc1
InChIInChI=1S/C25H26N2O5S/c1-17-10-12-20(13-11-17)33(29,30)26-23(22-9-6-14-31-22)21-15-19-16-32-25(2,27(19)24(21)28)18-7-4-3-5-8-18/h3-14,19,21,23,26H,15-16H2,1-2H3/t19-,21-,23+,25+/m0/s1
InChIKeyUEYLUVYPARMLJQ-FEGXGRLVSA-N
MW466.56 g/mol
LogP3.73
Rot. Bonds6

About N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide

N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 10928741) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID10928741
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccco2)[C@@H]2C[C@H]3CO[C@](C)(c4ccccc4)N3C2=O)cc1
InChIInChI=1S/C25H26N2O5S/c1-17-10-12-20(13-11-17)33(29,30)26-23(22-9-6-14-31-22)21-15-19-16-32-25(2,27(19)24(21)28)18-7-4-3-5-8-18/h3-14,19,21,23,26H,15-16H2,1-2H3/t19-,21-,23+,25+/m0/s1
InChIKeyUEYLUVYPARMLJQ-FEGXGRLVSA-N
XLogP3.73
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 15941469
(3R,6S,7aS)-6-benzyl-3-methyl-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 10662518
(7aS)-6-(benzenesulfonyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 11748455
4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 129406222
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 134950960
N-[(R)-[(1S)-2,2-dimethyl-6-oxocyclohexyl]-phenylmethyl]-4-methylbenzenesulfonamide
CID 102309490
4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide
CID 101180255
methyl (2S,3R)-2-(benzhydrylideneamino)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 102590262
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
CID 134965233

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide (CID 10928741) is N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccco2)[C@@H]2C[C@H]3CO[C@](C)(c4ccccc4)N3C2=O)cc1.
What is the InChIKey of N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is UEYLUVYPARMLJQ-FEGXGRLVSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-17-10-12-20(13-11-17)33(29,30)26-23(22-9-6-14-31-22)21-15-19-16-32-25(2,27(19)24(21)28)18-7-4-3-5-8-18/h3-14,19,21,23,26H,15-16H2,1-2H3/t19-,21-,23+,25+/m0/s1.
What are the key properties of N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(3R,6S,7aS)-3-methyl-5-oxo-3-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-6-yl]-(furan-2-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10928741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).