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

C15H15N3O4S — CID 42896008

IUPACN-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESCSc1ccccc1NC(=O)C(C)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O4S/c1-10(22-12-7-5-9-16-14(12)18(20)21)15(19)17-11-6-3-4-8-13(11)23-2/h3-10H,1-2H3,(H,17,19)
InChIKeyPXGNTMANVXVZHG-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.12
Rot. Bonds6

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

N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide (PubChem CID 42896008) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
PubChem CID42896008
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESCSc1ccccc1NC(=O)C(C)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O4S/c1-10(22-12-7-5-9-16-14(12)18(20)21)15(19)17-11-6-3-4-8-13(11)23-2/h3-10H,1-2H3,(H,17,19)
InChIKeyPXGNTMANVXVZHG-UHFFFAOYSA-N
XLogP3.12
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.12
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'}

Analyze N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974844
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8644554
(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 8643321
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974842
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16959128
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide
CID 41036683
(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 40662422
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 18077542

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide (CID 42896008) is N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide is CSc1ccccc1NC(=O)C(C)Oc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The InChIKey is PXGNTMANVXVZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-10(22-12-7-5-9-16-14(12)18(20)21)15(19)17-11-6-3-4-8-13(11)23-2/h3-10H,1-2H3,(H,17,19).
What are the key properties of N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide has a molecular weight of 333.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 42896008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).