N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide

C17H19NO3S — CID 71875712

IUPACN-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cccc(CSC2CCOCC2)c1)c1ccoc1
InChIInChI=1S/C17H19NO3S/c19-17(14-4-7-21-11-14)18-15-3-1-2-13(10-15)12-22-16-5-8-20-9-6-16/h1-4,7,10-11,16H,5-6,8-9,12H2,(H,18,19)
InChIKeyQDRYEDLHRNYLRR-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.94
Rot. Bonds5

About N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide

N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide (PubChem CID 71875712) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide
PubChem CID71875712
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cccc(CSC2CCOCC2)c1)c1ccoc1
InChIInChI=1S/C17H19NO3S/c19-17(14-4-7-21-11-14)18-15-3-1-2-13(10-15)12-22-16-5-8-20-9-6-16/h1-4,7,10-11,16H,5-6,8-9,12H2,(H,18,19)
InChIKeyQDRYEDLHRNYLRR-UHFFFAOYSA-N
XLogP3.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 119945597
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86961775
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 86961723
6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide
CID 86961518
3-(2-methylsulfanylimidazol-1-yl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 86961638
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86961679
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 119328941
4-(4-chlorophenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-4-oxobutanamide
CID 86962233
4-chloro-2-methoxy-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 86961557
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 86961784
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]acetamide
CID 86961821

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide (CID 71875712) is N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide is O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccoc1.
What is the InChIKey of N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide?
The InChIKey is QDRYEDLHRNYLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c19-17(14-4-7-21-11-14)18-15-3-1-2-13(10-15)12-22-16-5-8-20-9-6-16/h1-4,7,10-11,16H,5-6,8-9,12H2,(H,18,19).
What are the key properties of N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide?
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 71875712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).