2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide

C14H13ClN2OS — CID 5334945

IUPAC2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccsc1/C=N/NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2OS/c1-10-6-7-19-13(10)9-16-17-14(18)8-11-2-4-12(15)5-3-11/h2-7,9H,8H2,1H3,(H,17,18)/b16-9+
InChIKeyNUNVHNOYTNTNQK-CXUHLZMHSA-N
MW292.79 g/mol
LogP3.40
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 5334945) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID5334945
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccsc1/C=N/NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2OS/c1-10-6-7-19-13(10)9-16-17-14(18)8-11-2-4-12(15)5-3-11/h2-7,9H,8H2,1H3,(H,17,18)/b16-9+
InChIKeyNUNVHNOYTNTNQK-CXUHLZMHSA-N
XLogP3.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.40
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 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide (CID 5334945) is 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide is Cc1ccsc1/C=N/NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is NUNVHNOYTNTNQK-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-10-6-7-19-13(10)9-16-17-14(18)8-11-2-4-12(15)5-3-11/h2-7,9H,8H2,1H3,(H,17,18)/b16-9+.
What are the key properties of 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 292.79 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5334945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).