N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide

C13H19NO4S — CID 50981113

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1ccc(CSC)o1
InChIInChI=1S/C13H19NO4S/c1-3-17-12-7-16-6-10(12)14-13(15)11-5-4-9(18-11)8-19-2/h4-5,10,12H,3,6-8H2,1-2H3,(H,14,15)/t10-,12-/m0/s1
InChIKeyXSEDOTWKFYTVHQ-JQWIXIFHSA-N
MW285.37 g/mol
LogP1.68
Rot. Bonds6

About N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 50981113) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID50981113
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1ccc(CSC)o1
InChIInChI=1S/C13H19NO4S/c1-3-17-12-7-16-6-10(12)14-13(15)11-5-4-9(18-11)8-19-2/h4-5,10,12H,3,6-8H2,1-2H3,(H,14,15)/t10-,12-/m0/s1
InChIKeyXSEDOTWKFYTVHQ-JQWIXIFHSA-N
XLogP1.68
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 50981113) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide is CCO[C@H]1COC[C@@H]1NC(=O)c1ccc(CSC)o1.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is XSEDOTWKFYTVHQ-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-17-12-7-16-6-10(12)14-13(15)11-5-4-9(18-11)8-19-2/h4-5,10,12H,3,6-8H2,1-2H3,(H,14,15)/t10-,12-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 50981113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).