pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate

C15H18N2O5S — CID 86989733

IUPACpyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCc2ccccn2)o1
InChIInChI=1S/C15H18N2O5S/c1-15(2,3)17-23(19,20)13-8-7-12(22-13)14(18)21-10-11-6-4-5-9-16-11/h4-9,17H,10H2,1-3H3
InChIKeyGREPAKYDGGQTKR-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.11
Rot. Bonds5

About pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate

pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate (PubChem CID 86989733) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate
PubChem CID86989733
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Namepyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCc2ccccn2)o1
InChIInChI=1S/C15H18N2O5S/c1-15(2,3)17-23(19,20)13-8-7-12(22-13)14(18)21-10-11-6-4-5-9-16-11/h4-9,17H,10H2,1-3H3
InChIKeyGREPAKYDGGQTKR-UHFFFAOYSA-N
XLogP2.11
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 55783720
5-(tert-butylsulfamoyl)-N-quinolin-8-ylfuran-2-carboxamide
CID 39927338
2,2-dimethyl-N-(pyridin-2-ylmethoxy)propanamide
CID 86795436
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
5-(methylsulfamoyl)-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 39898259
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
CID 48731730
pyridin-2-ylmethyl 4-(methylsulfanylmethyl)benzoate
CID 86977046
pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate
CID 18136103
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
pyridin-2-ylmethyl 3,3-dimethyl-2-methylidenebutanoate
CID 11458652
5-(tert-butylsulfamoyl)-N-methyl-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 47085584

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate (CID 86989733) is pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCc2ccccn2)o1.
What is the InChIKey of pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate?
The InChIKey is GREPAKYDGGQTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-15(2,3)17-23(19,20)13-8-7-12(22-13)14(18)21-10-11-6-4-5-9-16-11/h4-9,17H,10H2,1-3H3.
What are the key properties of pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate?
pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate is sourced from PubChem (CID 86989733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).