propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate

C19H23NO6S — CID 46484326

IUPACpropan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate
SMILESCC(C)OC(=O)c1ccc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C19H23NO6S/c1-14(2)25-19(21)15-5-7-16(8-6-15)24-13-17-9-10-18(26-17)27(22,23)20-11-3-4-12-20/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyMPCGHXATZAARKC-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.21
Rot. Bonds7

About propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate

propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate (PubChem CID 46484326) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate
PubChem CID46484326
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Namepropan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate
SMILESCC(C)OC(=O)c1ccc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C19H23NO6S/c1-14(2)25-19(21)15-5-7-16(8-6-15)24-13-17-9-10-18(26-17)27(22,23)20-11-3-4-12-20/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyMPCGHXATZAARKC-UHFFFAOYSA-N
XLogP3.21
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(5-morpholin-4-ylsulfonylfuran-2-yl)methoxy]phenyl]cyclopropanecarboxamide
CID 45491629
methyl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 46547480
propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186223
methyl 2-methyl-3-[methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]amino]propanoate
CID 47053734
5-[(4-ethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19446653
1-propan-2-yl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazine
CID 86993095
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 31289277
propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate
CID 55664981
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 55730756
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
1-[5-[[(S)-ethylsulfinyl]methyl]furan-2-yl]sulfonylpyrrolidine
CID 97056140

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate?
The IUPAC name of propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate (CID 46484326) is propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate.
What is the SMILES notation for propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate?
The canonical SMILES for propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate is CC(C)OC(=O)c1ccc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1.
What is the InChIKey of propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate?
The InChIKey is MPCGHXATZAARKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-14(2)25-19(21)15-5-7-16(8-6-15)24-13-17-9-10-18(26-17)27(22,23)20-11-3-4-12-20/h5-10,14H,3-4,11-13H2,1-2H3.
What are the key properties of propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate?
propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate has a molecular weight of 393.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate is sourced from PubChem (CID 46484326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).