5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide

C19H16ClNO4S — CID 118723531

IUPAC5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide
SMILESCNC(=O)C1(c2ccccc2)CC(O)=C(Sc2ccccc2Cl)C(=O)O1
InChIInChI=1S/C19H16ClNO4S/c1-21-18(24)19(12-7-3-2-4-8-12)11-14(22)16(17(23)25-19)26-15-10-6-5-9-13(15)20/h2-10,22H,11H2,1H3,(H,21,24)
InChIKeyGILPTLPYPKFPJD-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.79
Rot. Bonds4

About 5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide

5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide (PubChem CID 118723531) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide
PubChem CID118723531
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide
SMILESCNC(=O)C1(c2ccccc2)CC(O)=C(Sc2ccccc2Cl)C(=O)O1
InChIInChI=1S/C19H16ClNO4S/c1-21-18(24)19(12-7-3-2-4-8-12)11-14(22)16(17(23)25-19)26-15-10-6-5-9-13(15)20/h2-10,22H,11H2,1H3,(H,21,24)
InChIKeyGILPTLPYPKFPJD-UHFFFAOYSA-N
XLogP3.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide (CID 118723531) is 5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide is CNC(=O)C1(c2ccccc2)CC(O)=C(Sc2ccccc2Cl)C(=O)O1.
What is the InChIKey of 5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide?
The InChIKey is GILPTLPYPKFPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-21-18(24)19(12-7-3-2-4-8-12)11-14(22)16(17(23)25-19)26-15-10-6-5-9-13(15)20/h2-10,22H,11H2,1H3,(H,21,24).
What are the key properties of 5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide?
5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)sulfanyl-4-hydroxy-N-methyl-6-oxo-2-phenyl-3H-pyran-2-carboxamide is sourced from PubChem (CID 118723531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).