2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide

C19H17N3OS — CID 5090031

IUPAC2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccccc1Nc1ccccc1)c1cccs1
InChIInChI=1S/C19H17N3OS/c1-14(18-12-7-13-24-18)21-22-19(23)16-10-5-6-11-17(16)20-15-8-3-2-4-9-15/h2-13,20H,1H3,(H,22,23)
InChIKeySDFVJQRCYMKUMG-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.65
Rot. Bonds5

About 2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide

2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide (PubChem CID 5090031) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide.

Molecular Properties

Compound Name2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide
PubChem CID5090031
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccccc1Nc1ccccc1)c1cccs1
InChIInChI=1S/C19H17N3OS/c1-14(18-12-7-13-24-18)21-22-19(23)16-10-5-6-11-17(16)20-15-8-3-2-4-9-15/h2-13,20H,1H3,(H,22,23)
InChIKeySDFVJQRCYMKUMG-UHFFFAOYSA-N
XLogP4.65
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.65
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

2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2,2-diphenyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 969030
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide
CID 19660564
N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4165688
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-[2-(1-thiophen-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
CID 129441270

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide?
The IUPAC name of 2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide (CID 5090031) is 2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide.
What is the SMILES notation for 2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide?
The canonical SMILES for 2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide is CC(=NNC(=O)c1ccccc1Nc1ccccc1)c1cccs1.
What is the InChIKey of 2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide?
The InChIKey is SDFVJQRCYMKUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-14(18-12-7-13-24-18)21-22-19(23)16-10-5-6-11-17(16)20-15-8-3-2-4-9-15/h2-13,20H,1H3,(H,22,23).
What are the key properties of 2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide?
2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide has a molecular weight of 335.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide is sourced from PubChem (CID 5090031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).