2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide

C19H15NO3S — CID 6483360

IUPAC2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide
SMILESNC(=O)C1=C(O)OC2=C(CSc3ccccc32)C1c1ccccc1
InChIInChI=1S/C19H15NO3S/c20-18(21)16-15(11-6-2-1-3-7-11)13-10-24-14-9-5-4-8-12(14)17(13)23-19(16)22/h1-9,15,22H,10H2,(H2,20,21)
InChIKeyLNNUBMBLLDTUOM-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.57
Rot. Bonds2

About 2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide

2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide (PubChem CID 6483360) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide
PubChem CID6483360
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide
SMILESNC(=O)C1=C(O)OC2=C(CSc3ccccc32)C1c1ccccc1
InChIInChI=1S/C19H15NO3S/c20-18(21)16-15(11-6-2-1-3-7-11)13-10-24-14-9-5-4-8-12(14)17(13)23-19(16)22/h1-9,15,22H,10H2,(H2,20,21)
InChIKeyLNNUBMBLLDTUOM-UHFFFAOYSA-N
XLogP3.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide?
The IUPAC name of 2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide (CID 6483360) is 2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide is NC(=O)C1=C(O)OC2=C(CSc3ccccc32)C1c1ccccc1.
What is the InChIKey of 2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide?
The InChIKey is LNNUBMBLLDTUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c20-18(21)16-15(11-6-2-1-3-7-11)13-10-24-14-9-5-4-8-12(14)17(13)23-19(16)22/h1-9,15,22H,10H2,(H2,20,21).
What are the key properties of 2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide?
2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-phenyl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carboxamide is sourced from PubChem (CID 6483360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).