N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide

C19H24FNO5S — CID 166242943

IUPACN-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide
SMILESCC(C)OC1(CS(=O)(=O)NCc2ccc(-c3ccco3)cc2F)CCOC1
InChIInChI=1S/C19H24FNO5S/c1-14(2)26-19(7-9-24-12-19)13-27(22,23)21-11-16-6-5-15(10-17(16)20)18-4-3-8-25-18/h3-6,8,10,14,21H,7,9,11-13H2,1-2H3
InChIKeyRBMKAVSKFRHZAO-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.09
Rot. Bonds8

About N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide

N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide (PubChem CID 166242943) has the molecular formula C19H24FNO5S and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide
PubChem CID166242943
Molecular FormulaC19H24FNO5S
Molecular Weight397.47 g/mol
Exact Mass397.14
IUPAC NameN-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide
SMILESCC(C)OC1(CS(=O)(=O)NCc2ccc(-c3ccco3)cc2F)CCOC1
InChIInChI=1S/C19H24FNO5S/c1-14(2)26-19(7-9-24-12-19)13-27(22,23)21-11-16-6-5-15(10-17(16)20)18-4-3-8-25-18/h3-6,8,10,14,21H,7,9,11-13H2,1-2H3
InChIKeyRBMKAVSKFRHZAO-UHFFFAOYSA-N
XLogP3.09
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 71862931
1-(6,6-dimethyl-1,4-dioxan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanesulfonamide
CID 166271981
2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide
CID 146104418
(2R,3R,5R)-5-[[2-fluoro-4-(furan-2-yl)phenyl]methylcarbamoyl]-3-methyloxolane-2-carboxylic acid
CID 146137071
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan
CID 168525152
2-(3-propan-2-yloxyoxolan-3-yl)ethanamine
CID 115014175
1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide
CID 146149447
4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide
CID 67282863
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
CID 121197266
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111475577
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]propane-1-sulfonamide
CID 150770697

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide?
The IUPAC name of N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide (CID 166242943) is N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide.
What is the SMILES notation for N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide?
The canonical SMILES for N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide is CC(C)OC1(CS(=O)(=O)NCc2ccc(-c3ccco3)cc2F)CCOC1.
What is the InChIKey of N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide?
The InChIKey is RBMKAVSKFRHZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO5S/c1-14(2)26-19(7-9-24-12-19)13-27(22,23)21-11-16-6-5-15(10-17(16)20)18-4-3-8-25-18/h3-6,8,10,14,21H,7,9,11-13H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide?
N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide has a molecular weight of 397.47 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(furan-2-yl)phenyl]methyl]-1-(3-propan-2-yloxyoxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 166242943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).