4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide

C15H15N3O2S — CID 910371

IUPAC4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C)s2)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-3-8-14(21-10)9-16-18-15(20)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyMZAUABYJKNZUCZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.78
Rot. Bonds4

About 4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide

4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 910371) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID910371
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C)s2)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-3-8-14(21-10)9-16-18-15(20)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyMZAUABYJKNZUCZ-UHFFFAOYSA-N
XLogP2.78
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.78
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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Related Compounds

4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4-sulfamoylbenzamide
CID 45109579
3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 126058288
N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 9156025
3-bromo-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681118
N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932924
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 910371) is 4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C)s2)cc1.
What is the InChIKey of 4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is MZAUABYJKNZUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-3-8-14(21-10)9-16-18-15(20)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 301.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 910371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).