(2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide

C15H15N3O3S — CID 40952784

IUPAC(2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nc1
InChIInChI=1S/C15H15N3O3S/c1-10-3-8-14(16-9-10)17-15(19)11(2)22-13-6-4-12(5-7-13)18(20)21/h3-9,11H,1-2H3,(H,16,17,19)/t11-/m0/s1
InChIKeyZOOQEMMHTFDBMR-NSHDSACASA-N
MW317.37 g/mol
LogP3.42
Rot. Bonds5

About (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide

(2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide (PubChem CID 40952784) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide
PubChem CID40952784
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nc1
InChIInChI=1S/C15H15N3O3S/c1-10-3-8-14(16-9-10)17-15(19)11(2)22-13-6-4-12(5-7-13)18(20)21/h3-9,11H,1-2H3,(H,16,17,19)/t11-/m0/s1
InChIKeyZOOQEMMHTFDBMR-NSHDSACASA-N
XLogP3.42
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.42
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'}

Analyze (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide 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

(2S)-2-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 7375379
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 56555780
N-[4-(carbamoylamino)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 46518680
2-(4-chlorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)-5-nitrobenzamide
CID 35022110
2-(4-nitrophenyl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 46553499
N-[1-(4-methylphenyl)propyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 18189683
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 8571036
N-(5-chloro-2-pyridinyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 23095622
N-(2-acetamidoethyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 46653051
2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide
CID 23970461
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 55363375
2-[[4-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 92759160

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide (CID 40952784) is (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide is Cc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nc1.
What is the InChIKey of (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide?
The InChIKey is ZOOQEMMHTFDBMR-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-10-3-8-14(16-9-10)17-15(19)11(2)22-13-6-4-12(5-7-13)18(20)21/h3-9,11H,1-2H3,(H,16,17,19)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide?
(2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide has a molecular weight of 317.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide is sourced from PubChem (CID 40952784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).