N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide

C15H14N4O4S — CID 4036264

IUPACN-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C15H14N4O4S/c1-10(20)17-11-2-4-12(5-3-11)18-14(21)9-24-15-7-6-13(8-16-15)19(22)23/h2-8H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyXZQFQZCEYACDAA-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.68
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide

N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 4036264) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
PubChem CID4036264
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC NameN-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C15H14N4O4S/c1-10(20)17-11-2-4-12(5-3-11)18-14(21)9-24-15-7-6-13(8-16-15)19(22)23/h2-8H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyXZQFQZCEYACDAA-UHFFFAOYSA-N
XLogP2.68
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide 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-fluoro-3-nitrophenyl)-2-(pyridin-2-ylthio)acetamide
CID 2059919
5-Nitro-2-(phenylsulfonyl)pyridine
CID 1477595
N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenylacetamide
CID 2342406
N-cyclohexyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2413718
N-(4-morpholin-4-ylphenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide
CID 2980339
4(1H)-Pyrimidinone, 2-((3-nitro-2-pyridinyl)thio)-
CID 100319
5-Nitro-2-phenylsulfanylpyridine
CID 699570
N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2055031
2-[(4-Fluorophenyl)sulfanyl]-3-nitropyridine
CID 819329
N-(3-nitrophenyl)-2-(pyridin-2-ylsulfanyl)acetamide
CID 721827
2-phenylsulfanyl-N-pyridin-3-ylacetamide
CID 801624
3-Amino-2-({5-nitropyridin-2-yl}thio)pyridine
CID 901969

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (CID 4036264) is N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is XZQFQZCEYACDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-10(20)17-11-2-4-12(5-3-11)18-14(21)9-24-15-7-6-13(8-16-15)19(22)23/h2-8H,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 346.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 4036264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).