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

C20H15N3O4S — CID 2949758

IUPACN-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H15N3O4S/c24-18(13-28-19-11-10-15(12-21-19)23(26)27)22-17-9-5-4-8-16(17)20(25)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,24)
InChIKeyKIMQQTFQLGMNAA-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.95
Rot. Bonds7

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

N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 2949758) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
PubChem CID2949758
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC NameN-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H15N3O4S/c24-18(13-28-19-11-10-15(12-21-19)23(26)27)22-17-9-5-4-8-16(17)20(25)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,24)
InChIKeyKIMQQTFQLGMNAA-UHFFFAOYSA-N
XLogP3.95
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 124594955
N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide
CID 9082146
N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
CID 7816683
N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 124595289
N-(3,5-dichlorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 16654172
N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 126184841
N-(2-benzoylphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 3404959
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 18077302
6-[[2-[(5-nitro-2-pyridinyl)sulfanyl]acetyl]amino]hexanoic acid
CID 39186293
N-(2-benzoylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2521602
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
CID 23824405
N-(2-acetylphenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759654

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (CID 2949758) is N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is KIMQQTFQLGMNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c24-18(13-28-19-11-10-15(12-21-19)23(26)27)22-17-9-5-4-8-16(17)20(25)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,24).
What are the key properties of N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 393.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 2949758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).