N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide

C25H23NO6S2 — CID 41193070

IUPACN-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccco2)cc1
InChIInChI=1S/C25H23NO6S2/c1-19-9-13-22(14-10-19)33(27,28)25(24-8-5-17-31-24)18-26-34(29,30)23-15-11-21(12-16-23)32-20-6-3-2-4-7-20/h2-17,25-26H,18H2,1H3/t25-/m1/s1
InChIKeyUJJSGFZUPQBDOB-RUZDIDTESA-N
MW497.59 g/mol
LogP4.87
Rot. Bonds9

About N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide

N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide (PubChem CID 41193070) has the molecular formula C25H23NO6S2 and a molecular weight of 497.59 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide
PubChem CID41193070
Molecular FormulaC25H23NO6S2
Molecular Weight497.59 g/mol
Exact Mass497.10
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccco2)cc1
InChIInChI=1S/C25H23NO6S2/c1-19-9-13-22(14-10-19)33(27,28)25(24-8-5-17-31-24)18-26-34(29,30)23-15-11-21(12-16-23)32-20-6-3-2-4-7-20/h2-17,25-26H,18H2,1H3/t25-/m1/s1
InChIKeyUJJSGFZUPQBDOB-RUZDIDTESA-N
XLogP4.87
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
CID 7268396
3-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-methoxybenzenesulfonamide
CID 40775184
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 18574109
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 41193057
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40775182
methyl 3-[[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]sulfamoyl]propanoate
CID 9125346
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 41193089
N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide
CID 41193256
2-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)sulfonylethyl]furan
CID 110315122
4-fluoro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 41193186

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide (CID 41193070) is N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide is Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccco2)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide?
The InChIKey is UJJSGFZUPQBDOB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23NO6S2/c1-19-9-13-22(14-10-19)33(27,28)25(24-8-5-17-31-24)18-26-34(29,30)23-15-11-21(12-16-23)32-20-6-3-2-4-7-20/h2-17,25-26H,18H2,1H3/t25-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide?
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide has a molecular weight of 497.59 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 41193070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).