2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide

C14H13ClN2OS2 — CID 5405018

IUPAC2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide
SMILESCSc1sc(C)cc1/C=N\NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2OS2/c1-9-7-10(14(19-2)20-9)8-16-17-13(18)11-5-3-4-6-12(11)15/h3-8H,1-2H3,(H,17,18)/b16-8-
InChIKeyKCWZYPKBQSVDHT-PXNMLYILSA-N
MW324.86 g/mol
LogP4.20
Rot. Bonds4

About 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide

2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide (PubChem CID 5405018) has the molecular formula C14H13ClN2OS2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide
PubChem CID5405018
Molecular FormulaC14H13ClN2OS2
Molecular Weight324.86 g/mol
Exact Mass324.02
IUPAC Name2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide
SMILESCSc1sc(C)cc1/C=N\NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2OS2/c1-9-7-10(14(19-2)20-9)8-16-17-13(18)11-5-3-4-6-12(11)15/h3-8H,1-2H3,(H,17,18)/b16-8-
InChIKeyKCWZYPKBQSVDHT-PXNMLYILSA-N
XLogP4.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide 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-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide
CID 4980851
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 4192848
2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110509287
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide (CID 5405018) is 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide is CSc1sc(C)cc1/C=N\NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide?
The InChIKey is KCWZYPKBQSVDHT-PXNMLYILSA-N. The full InChI is InChI=1S/C14H13ClN2OS2/c1-9-7-10(14(19-2)20-9)8-16-17-13(18)11-5-3-4-6-12(11)15/h3-8H,1-2H3,(H,17,18)/b16-8-.
What are the key properties of 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide has a molecular weight of 324.86 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(5-methyl-2-methylsulfanylthiophen-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 5405018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).