(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide

C17H14Cl2N4O2S — CID 8941248

IUPAC(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide
SMILESC[C@H](SC1=NCC(=O)N1c1ccccc1Cl)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C17H14Cl2N4O2S/c1-10(16(25)22-12-6-4-8-20-15(12)19)26-17-21-9-14(24)23(17)13-7-3-2-5-11(13)18/h2-8,10H,9H2,1H3,(H,22,25)/t10-/m0/s1
InChIKeyLFNQPDMGWIHPAS-JTQLQIEISA-N
MW409.30 g/mol
LogP3.85
Rot. Bonds4

About (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide

(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide (PubChem CID 8941248) has the molecular formula C17H14Cl2N4O2S and a molecular weight of 409.30 g/mol. Its IUPAC name is (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide
PubChem CID8941248
Molecular FormulaC17H14Cl2N4O2S
Molecular Weight409.30 g/mol
Exact Mass408.02
IUPAC Name(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide
SMILESC[C@H](SC1=NCC(=O)N1c1ccccc1Cl)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C17H14Cl2N4O2S/c1-10(16(25)22-12-6-4-8-20-15(12)19)26-17-21-9-14(24)23(17)13-7-3-2-5-11(13)18/h2-8,10H,9H2,1H3,(H,22,25)/t10-/m0/s1
InChIKeyLFNQPDMGWIHPAS-JTQLQIEISA-N
XLogP3.85
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941150
(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 8941350
(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
CID 9459475
(2S)-N-(2-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 8988629
(2S)-N-(2-chloro-3-pyridinyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735108
2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide
CID 55419308
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide
CID 55420355
2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8562642
N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 84866005
(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
(2R)-N-(2,4-dimethylphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide?
The IUPAC name of (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide (CID 8941248) is (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide is C[C@H](SC1=NCC(=O)N1c1ccccc1Cl)C(=O)Nc1cccnc1Cl.
What is the InChIKey of (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide?
The InChIKey is LFNQPDMGWIHPAS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14Cl2N4O2S/c1-10(16(25)22-12-6-4-8-20-15(12)19)26-17-21-9-14(24)23(17)13-7-3-2-5-11(13)18/h2-8,10H,9H2,1H3,(H,22,25)/t10-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide?
(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide has a molecular weight of 409.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide is sourced from PubChem (CID 8941248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).