N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide

C15H15N3O2S — CID 51160435

IUPACN-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccncc2)cc1
InChIInChI=1S/C15H15N3O2S/c1-11(19)17-12-2-4-13(5-3-12)18-15(20)10-21-14-6-8-16-9-7-14/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyQFGPPHUDWPRJJN-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.77
Rot. Bonds5

About N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide

N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide (PubChem CID 51160435) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
PubChem CID51160435
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccncc2)cc1
InChIInChI=1S/C15H15N3O2S/c1-11(19)17-12-2-4-13(5-3-12)18-15(20)10-21-14-6-8-16-9-7-14/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyQFGPPHUDWPRJJN-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

Analyze N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 64792989
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 61221777
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 25386787
5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid
CID 63153996
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823
2-[[4-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785321
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-pyridin-4-ylacetamide
CID 19318230
N-(4-acetamidophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7363081

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide (CID 51160435) is N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2ccncc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is QFGPPHUDWPRJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11(19)17-12-2-4-13(5-3-12)18-15(20)10-21-14-6-8-16-9-7-14/h2-9H,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide?
N-(4-acetamidophenyl)-2-pyridin-4-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-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 51160435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).