2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide

C13H12ClN3OS — CID 58897664

IUPAC2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)N/N=C/c1ccsc1
InChIInChI=1S/C13H12ClN3OS/c14-11-2-1-3-12(6-11)15-8-13(18)17-16-7-10-4-5-19-9-10/h1-7,9,15H,8H2,(H,17,18)/b16-7+
InChIKeyUGNQAGPYMDIZPH-FRKPEAEDSA-N
MW293.78 g/mol
LogP2.96
Rot. Bonds5

About 2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide

2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide (PubChem CID 58897664) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide
PubChem CID58897664
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)N/N=C/c1ccsc1
InChIInChI=1S/C13H12ClN3OS/c14-11-2-1-3-12(6-11)15-8-13(18)17-16-7-10-4-5-19-9-10/h1-7,9,15H,8H2,(H,17,18)/b16-7+
InChIKeyUGNQAGPYMDIZPH-FRKPEAEDSA-N
XLogP2.96
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 52.96
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide (CID 58897664) is 2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide is O=C(CNc1cccc(Cl)c1)N/N=C/c1ccsc1.
What is the InChIKey of 2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide?
The InChIKey is UGNQAGPYMDIZPH-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c14-11-2-1-3-12(6-11)15-8-13(18)17-16-7-10-4-5-19-9-10/h1-7,9,15H,8H2,(H,17,18)/b16-7+.
What are the key properties of 2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide?
2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide has a molecular weight of 293.78 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[(E)-thiophen-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 58897664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).