N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide

C15H15N3O2S — CID 882650

IUPACN-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ccccn2)c1
InChIInChI=1S/C15H15N3O2S/c1-11(19)17-12-5-4-6-13(9-12)18-14(20)10-21-15-7-2-3-8-16-15/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyCZIJTNGKYYHNDQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.77
Rot. Bonds5

About N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide

N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 882650) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID882650
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ccccn2)c1
InChIInChI=1S/C15H15N3O2S/c1-11(19)17-12-5-4-6-13(9-12)18-14(20)10-21-15-7-2-3-8-16-15/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyCZIJTNGKYYHNDQ-UHFFFAOYSA-N
XLogP2.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
2-pyridin-2-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3911051
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530316
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7753229

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide (CID 882650) is N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2ccccn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is CZIJTNGKYYHNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11(19)17-12-5-4-6-13(9-12)18-14(20)10-21-15-7-2-3-8-16-15/h2-9H,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 301.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 882650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).