N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide

C18H25NO5S — CID 90605178

IUPACN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1
InChIInChI=1S/C18H25NO5S/c1-14(2)12-24-15-6-8-17(9-7-15)25(21,22)19-13-18(3,20)11-16-5-4-10-23-16/h4-10,14,19-20H,11-13H2,1-3H3
InChIKeyFGIBSENXTQDPAZ-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.59
Rot. Bonds9

About N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide

N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 90605178) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID90605178
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC NameN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1
InChIInChI=1S/C18H25NO5S/c1-14(2)12-24-15-6-8-17(9-7-15)25(21,22)19-13-18(3,20)11-16-5-4-10-23-16/h4-10,14,19-20H,11-13H2,1-3H3
InChIKeyFGIBSENXTQDPAZ-UHFFFAOYSA-N
XLogP2.59
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90605173
3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 90605118
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 90605128
4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 121085972
4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide
CID 99872680
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
CID 99872555
1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide
CID 90605152
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide (CID 90605178) is N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide is CC(C)COc1ccc(S(=O)(=O)NCC(C)(O)Cc2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is FGIBSENXTQDPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5S/c1-14(2)12-24-15-6-8-17(9-7-15)25(21,22)19-13-18(3,20)11-16-5-4-10-23-16/h4-10,14,19-20H,11-13H2,1-3H3.
What are the key properties of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide?
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 90605178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).