4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide

C18H15N3OS — CID 19353808

IUPAC4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
SMILESN/C(=N\c1ccc(C(=O)Nc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C18H15N3OS/c19-17(16-7-4-12-23-16)20-15-10-8-13(9-11-15)18(22)21-14-5-2-1-3-6-14/h1-12H,(H2,19,20)(H,21,22)
InChIKeySKIJHWYDVBYQTG-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.04
Rot. Bonds4

About 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide

4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide (PubChem CID 19353808) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
PubChem CID19353808
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
SMILESN/C(=N\c1ccc(C(=O)Nc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C18H15N3OS/c19-17(16-7-4-12-23-16)20-15-10-8-13(9-11-15)18(22)21-14-5-2-1-3-6-14/h1-12H,(H2,19,20)(H,21,22)
InChIKeySKIJHWYDVBYQTG-UHFFFAOYSA-N
XLogP4.04
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide 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

3-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,1-diphenylurea
CID 19353824
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-phenylurea
CID 18976281
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
acetamide;N'-[4-[4-(4-anilinophenyl)piperazin-1-yl]phenyl]thiophene-2-carboximidamide
CID 70185764
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide
CID 15462191
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(4-phenoxyphenyl)butanamide
CID 22646356
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
CID 18765781
N-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-(1,2-oxazol-5-yl)acetamide
CID 141005855

Frequently Asked Questions

What is the IUPAC name of 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide?
The IUPAC name of 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide (CID 19353808) is 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide?
The canonical SMILES for 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide is N/C(=N\c1ccc(C(=O)Nc2ccccc2)cc1)c1cccs1.
What is the InChIKey of 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide?
The InChIKey is SKIJHWYDVBYQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c19-17(16-7-4-12-23-16)20-15-10-8-13(9-11-15)18(22)21-14-5-2-1-3-6-14/h1-12H,(H2,19,20)(H,21,22).
What are the key properties of 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide?
4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide has a molecular weight of 321.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide is sourced from PubChem (CID 19353808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).