4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide

C27H26N4OS — CID 15462191

IUPAC4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide
SMILESN/C(=N\c1ccc(CCCC(=O)Nc2ccccc2Nc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C27H26N4OS/c28-27(25-13-7-19-33-25)30-22-17-15-20(16-18-22)8-6-14-26(32)31-24-12-5-4-11-23(24)29-21-9-2-1-3-10-21/h1-5,7,9-13,15-19,29H,6,8,14H2,(H2,28,30)(H,31,32)
InChIKeyLVWIFLFDIBOVBM-UHFFFAOYSA-N
MW454.60 g/mol
LogP6.49
Rot. Bonds9

About 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide

4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide (PubChem CID 15462191) has the molecular formula C27H26N4OS and a molecular weight of 454.60 g/mol. Its IUPAC name is 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide.

Molecular Properties

Compound Name4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide
PubChem CID15462191
Molecular FormulaC27H26N4OS
Molecular Weight454.60 g/mol
Exact Mass454.18
IUPAC Name4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide
SMILESN/C(=N\c1ccc(CCCC(=O)Nc2ccccc2Nc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C27H26N4OS/c28-27(25-13-7-19-33-25)30-22-17-15-20(16-18-22)8-6-14-26(32)31-24-12-5-4-11-23(24)29-21-9-2-1-3-10-21/h1-5,7,9-13,15-19,29H,6,8,14H2,(H2,28,30)(H,31,32)
InChIKeyLVWIFLFDIBOVBM-UHFFFAOYSA-N
XLogP6.49
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide 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

4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(4-phenoxyphenyl)butanamide
CID 22646356
N'-[4-[4-(4-anilinoanilino)butyl]phenyl]thiophene-2-carboximidamide
CID 22646381
N'-[4-[4-(4-anilinoanilino)butyl]phenyl]thiophene-2-carboximidamide;hydrochloride
CID 22646421
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
4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
CID 19353808
N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
CID 18765781
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-[(4-hydroxyphenyl)methylidene]butanamide
CID 139922641
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[4-[4-(2-anilinobenzoyl)piperazin-1-yl]phenyl]thiophene-2-carboximidamide
CID 22646350
2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride
CID 142649841
acetamide;N'-[4-[4-(4-anilinophenyl)piperazin-1-yl]phenyl]thiophene-2-carboximidamide
CID 70185764

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide?
The IUPAC name of 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide (CID 15462191) is 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide.
What is the SMILES notation for 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide?
The canonical SMILES for 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide is N/C(=N\c1ccc(CCCC(=O)Nc2ccccc2Nc2ccccc2)cc1)c1cccs1.
What is the InChIKey of 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide?
The InChIKey is LVWIFLFDIBOVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4OS/c28-27(25-13-7-19-33-25)30-22-17-15-20(16-18-22)8-6-14-26(32)31-24-12-5-4-11-23(24)29-21-9-2-1-3-10-21/h1-5,7,9-13,15-19,29H,6,8,14H2,(H2,28,30)(H,31,32).
What are the key properties of 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide?
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide has a molecular weight of 454.60 g/mol, XLogP of 6.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide is sourced from PubChem (CID 15462191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).