N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide

C17H19N3O4S — CID 3529020

IUPACN-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCSCCc1ccccn1
InChIInChI=1S/C17H19N3O4S/c1-24-16-6-5-14(20(22)23)12-15(16)19-17(21)8-11-25-10-7-13-4-2-3-9-18-13/h2-6,9,12H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyQPAHWXHZNNASJC-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.30
Rot. Bonds9

About N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide

N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide (PubChem CID 3529020) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
PubChem CID3529020
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCSCCc1ccccn1
InChIInChI=1S/C17H19N3O4S/c1-24-16-6-5-14(20(22)23)12-15(16)19-17(21)8-11-25-10-7-13-4-2-3-9-18-13/h2-6,9,12H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyQPAHWXHZNNASJC-UHFFFAOYSA-N
XLogP3.30
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)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-methoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 792137
N-(2-methoxy-5-nitrophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 2391270
N-(2-methoxy-5-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2562806
N-(2-methoxy-4-nitrophenyl)-2-(pyridin-2-ylthio)acetamide
CID 3986424
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 2539254
N-(2-Methoxy-5-nitrophenyl)-2-(2-pyridinylthio)acetamide
CID 5006648
(2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 33749104
(2S)-N-(2-methoxy-5-nitrophenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 33749115
N-(2-methoxy-5-nitrophenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 42940143
N-(2-methoxy-5-nitrophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 46813163
N-(2-methoxy-5-nitrophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 51180533
N-[2-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 51234093

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide (CID 3529020) is N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCSCCc1ccccn1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide?
The InChIKey is QPAHWXHZNNASJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-24-16-6-5-14(20(22)23)12-15(16)19-17(21)8-11-25-10-7-13-4-2-3-9-18-13/h2-6,9,12H,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide?
N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide has a molecular weight of 361.42 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide is sourced from PubChem (CID 3529020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).