N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide

C19H25NO5S — CID 15941469

IUPACN-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccco2)C2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C19H25NO5S/c1-13-8-10-14(11-9-13)26(21,22)20-16(15-7-6-12-23-15)17-24-18(2,3)19(4,5)25-17/h6-12,16-17,20H,1-5H3/t16-/m1/s1
InChIKeyLXEVAUFETPGVNV-MRXNPFEDSA-N
MW379.48 g/mol
LogP3.54
Rot. Bonds5

About N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide

N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 15941469) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID15941469
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC NameN-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccco2)C2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C19H25NO5S/c1-13-8-10-14(11-9-13)26(21,22)20-16(15-7-6-12-23-15)17-24-18(2,3)19(4,5)25-17/h6-12,16-17,20H,1-5H3/t16-/m1/s1
InChIKeyLXEVAUFETPGVNV-MRXNPFEDSA-N
XLogP3.54
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 129406222
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185
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
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
CID 134965233
N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 134946791
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 134950960
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
methyl (2S,3R)-2-(benzhydrylideneamino)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 102590262
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide
CID 101180255
N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4165649

Frequently Asked Questions

What is the IUPAC name of N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide (CID 15941469) is N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](c2ccco2)C2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is LXEVAUFETPGVNV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-13-8-10-14(11-9-13)26(21,22)20-16(15-7-6-12-23-15)17-24-18(2,3)19(4,5)25-17/h6-12,16-17,20H,1-5H3/t16-/m1/s1.
What are the key properties of N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide?
N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15941469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).