2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide

C13H11N3O4S — CID 51101089

IUPAC2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc[nH]c1=O
InChIInChI=1S/C13H11N3O4S/c17-12(15-11-2-1-7-14-13(11)18)8-21-10-5-3-9(4-6-10)16(19)20/h1-7H,8H2,(H,14,18)(H,15,17)
InChIKeyBSYMVGPLZFADMO-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.01
Rot. Bonds5

About 2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide

2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide (PubChem CID 51101089) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide
PubChem CID51101089
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC Name2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc[nH]c1=O
InChIInChI=1S/C13H11N3O4S/c17-12(15-11-2-1-7-14-13(11)18)8-21-10-5-3-9(4-6-10)16(19)20/h1-7H,8H2,(H,14,18)(H,15,17)
InChIKeyBSYMVGPLZFADMO-UHFFFAOYSA-N
XLogP2.01
TPSA105.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 47047335
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 46458024
N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26360934
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26880535
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803
N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide
CID 4173915

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide (CID 51101089) is 2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc[nH]c1=O.
What is the InChIKey of 2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide?
The InChIKey is BSYMVGPLZFADMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c17-12(15-11-2-1-7-14-13(11)18)8-21-10-5-3-9(4-6-10)16(19)20/h1-7H,8H2,(H,14,18)(H,15,17).
What are the key properties of 2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide?
2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide has a molecular weight of 305.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)sulfanyl-N-(2-oxo-1H-pyridin-3-yl)acetamide is sourced from PubChem (CID 51101089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).