(2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide

C16H14Cl2N2OS — CID 40529974

IUPAC(2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2OS/c1-11(22-12-6-3-2-4-7-12)16(21)20-19-10-13-14(17)8-5-9-15(13)18/h2-11H,1H3,(H,20,21)/b19-10-/t11-/m0/s1
InChIKeyLQBHBOMGYGQKKZ-ORPVNXHJSA-N
MW353.27 g/mol
LogP4.62
Rot. Bonds5

About (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide

(2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide (PubChem CID 40529974) has the molecular formula C16H14Cl2N2OS and a molecular weight of 353.27 g/mol. Its IUPAC name is (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide
PubChem CID40529974
Molecular FormulaC16H14Cl2N2OS
Molecular Weight353.27 g/mol
Exact Mass352.02
IUPAC Name(2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2OS/c1-11(22-12-6-3-2-4-7-12)16(21)20-19-10-13-14(17)8-5-9-15(13)18/h2-11H,1H3,(H,20,21)/b19-10-/t11-/m0/s1
InChIKeyLQBHBOMGYGQKKZ-ORPVNXHJSA-N
XLogP4.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide 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

(4-Chloro-benzylsulfanyl)-acetic acid (2,6-dichloro-benzylidene)-hydrazide
CID 9590479
2-[(4-chlorobenzyl)sulfanyl]-N'-(2,4-dichlorobenzylidene)acetohydrazide
CID 6876635
(4-Chloro-benzylsulfanyl)-acetic acid (4-methyl-benzylidene)-hydrazide
CID 9580169
N'-[(1E)-phenylmethylene]-2-(phenylthio)propanohydrazide
CID 9608474
N-[(3-chlorophenyl)methylideneamino]-3-[3-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 242566
N-[(3-chlorophenyl)methylideneamino]-2-[1-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
CID 245150
2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(2,6-dichlorophenyl)methylidene]acetohydrazide
CID 6865054
N'-benzylidene-2-[(4-chlorobenzyl)sulfanyl]acetohydrazide
CID 6877552
Acetic acid, (methylthio)-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589033
Acetic acid, (methylthio)-, (2,6-dichlorobenzylidene)hydrazide
CID 9589335
2-[(4-chlorobenzyl)sulfanyl]-N'-(2-fluorobenzylidene)acetohydrazide
CID 6876641
N-[(1E)-2-(4-fluorophenyl)-1-azavinyl]-2-(4-chlorophenylthio)acetamide
CID 9563228

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide (CID 40529974) is (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide is C[C@H](Sc1ccccc1)C(=O)N/N=C\c1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide?
The InChIKey is LQBHBOMGYGQKKZ-ORPVNXHJSA-N. The full InChI is InChI=1S/C16H14Cl2N2OS/c1-11(22-12-6-3-2-4-7-12)16(21)20-19-10-13-14(17)8-5-9-15(13)18/h2-11H,1H3,(H,20,21)/b19-10-/t11-/m0/s1.
What are the key properties of (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide?
(2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide has a molecular weight of 353.27 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 40529974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).