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

C14H13N3O3S — CID 124594955

IUPACN-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H13N3O3S/c1-10-4-2-3-5-12(10)16-13(18)9-21-14-7-6-11(8-15-14)17(19)20/h2-8H,9H2,1H3,(H,16,18)
InChIKeyIPCWONGFSFTLPX-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.03
Rot. Bonds5

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

N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 124594955) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
PubChem CID124594955
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H13N3O3S/c1-10-4-2-3-5-12(10)16-13(18)9-21-14-7-6-11(8-15-14)17(19)20/h2-8H,9H2,1H3,(H,16,18)
InChIKeyIPCWONGFSFTLPX-UHFFFAOYSA-N
XLogP3.03
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
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-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 126184841
N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 2949758
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 30028187
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-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 126187085
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 18905346
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 18077302
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 40549952

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (CID 124594955) is N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is Cc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is IPCWONGFSFTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-10-4-2-3-5-12(10)16-13(18)9-21-14-7-6-11(8-15-14)17(19)20/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 303.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 124594955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).