N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide

C16H16N2O2S — CID 2975159

IUPACN-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Sc2ccccn2)cc1
InChIInChI=1S/C16H16N2O2S/c1-11(19)13-6-8-14(9-7-13)18-16(20)12(2)21-15-5-3-4-10-17-15/h3-10,12H,1-2H3,(H,18,20)
InChIKeyOCAYQVQCOJPLOH-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.40
Rot. Bonds5

About N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide

N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 2975159) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID2975159
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Sc2ccccn2)cc1
InChIInChI=1S/C16H16N2O2S/c1-11(19)13-6-8-14(9-7-13)18-16(20)12(2)21-15-5-3-4-10-17-15/h3-10,12H,1-2H3,(H,18,20)
InChIKeyOCAYQVQCOJPLOH-UHFFFAOYSA-N
XLogP3.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide (CID 2975159) is N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide is CC(=O)c1ccc(NC(=O)C(C)Sc2ccccn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is OCAYQVQCOJPLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11(19)13-6-8-14(9-7-13)18-16(20)12(2)21-15-5-3-4-10-17-15/h3-10,12H,1-2H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 2975159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).