N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide

C15H16N2O2S — CID 135073900

IUPACN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide
SMILESCC(C(=O)N=S(C)(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-12(13-8-4-3-5-9-13)15(18)17-20(2,19)14-10-6-7-11-16-14/h3-12H,1-2H3
InChIKeyDDSCQXPAVKSODW-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.87
Rot. Bonds3

About N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide

N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide (PubChem CID 135073900) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide
PubChem CID135073900
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide
SMILESCC(C(=O)N=S(C)(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-12(13-8-4-3-5-9-13)15(18)17-20(2,19)14-10-6-7-11-16-14/h3-12H,1-2H3
InChIKeyDDSCQXPAVKSODW-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide?
The IUPAC name of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide (CID 135073900) is N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide.
What is the SMILES notation for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide?
The canonical SMILES for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide is CC(C(=O)N=S(C)(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide?
The InChIKey is DDSCQXPAVKSODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-12(13-8-4-3-5-9-13)15(18)17-20(2,19)14-10-6-7-11-16-14/h3-12H,1-2H3.
What are the key properties of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide?
N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide has a molecular weight of 288.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-phenylpropanamide is sourced from PubChem (CID 135073900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).