N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C14H13N3O4S — CID 8893390

IUPACN-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCSc1cccc(NC(=O)COc2cccnc2[N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O4S/c1-22-11-5-2-4-10(8-11)16-13(18)9-21-12-6-3-7-15-14(12)17(19)20/h2-8H,9H2,1H3,(H,16,18)
InChIKeyRKVSREGULLUJRG-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.73
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 8893390) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID8893390
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCSc1cccc(NC(=O)COc2cccnc2[N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O4S/c1-22-11-5-2-4-10(8-11)16-13(18)9-21-12-6-3-7-15-14(12)17(19)20/h2-8H,9H2,1H3,(H,16,18)
InChIKeyRKVSREGULLUJRG-UHFFFAOYSA-N
XLogP2.73
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.73
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-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288
N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
3-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 29338744
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 3347612
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7894372
N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 16796852
N-(3-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4818074
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 837829
N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 16959110
N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
CID 16959114

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 8893390) is N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is CSc1cccc(NC(=O)COc2cccnc2[N+](=O)[O-])c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is RKVSREGULLUJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-22-11-5-2-4-10(8-11)16-13(18)9-21-12-6-3-7-15-14(12)17(19)20/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 319.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 8893390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).