N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide

C19H15ClN2O3S — CID 2819900

IUPACN-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide
SMILESCS(=O)(=NC(=O)c1cccnc1Oc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O3S/c1-26(24,16-11-9-14(20)10-12-16)22-18(23)17-8-5-13-21-19(17)25-15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyISJMWXVLCLFEHG-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.82
Rot. Bonds4

About N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide

N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide (PubChem CID 2819900) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide
PubChem CID2819900
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide
SMILESCS(=O)(=NC(=O)c1cccnc1Oc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O3S/c1-26(24,16-11-9-14(20)10-12-16)22-18(23)17-8-5-13-21-19(17)25-15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyISJMWXVLCLFEHG-UHFFFAOYSA-N
XLogP4.82
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide (CID 2819900) is N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide is CS(=O)(=NC(=O)c1cccnc1Oc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide?
The InChIKey is ISJMWXVLCLFEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-26(24,16-11-9-14(20)10-12-16)22-18(23)17-8-5-13-21-19(17)25-15-6-3-2-4-7-15/h2-13H,1H3.
What are the key properties of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide?
N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 2819900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).