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

C14H10N4O3S — CID 2982241

IUPACN-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H10N4O3S/c15-7-10-3-1-2-4-12(10)17-13(19)9-22-14-6-5-11(8-16-14)18(20)21/h1-6,8H,9H2,(H,17,19)
InChIKeyFXWVVJYIWLWSLJ-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.59
Rot. Bonds5

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

N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 2982241) has the molecular formula C14H10N4O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
PubChem CID2982241
Molecular FormulaC14H10N4O3S
Molecular Weight314.33 g/mol
Exact Mass314.05
IUPAC NameN-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H10N4O3S/c15-7-10-3-1-2-4-12(10)17-13(19)9-22-14-6-5-11(8-16-14)18(20)21/h1-6,8H,9H2,(H,17,19)
InChIKeyFXWVVJYIWLWSLJ-UHFFFAOYSA-N
XLogP2.59
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (CID 2982241) is N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is N#Cc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is FXWVVJYIWLWSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3S/c15-7-10-3-1-2-4-12(10)17-13(19)9-22-14-6-5-11(8-16-14)18(20)21/h1-6,8H,9H2,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 314.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 2982241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).