N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide

C22H24N4OS — CID 18765781

IUPACN-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCCc2ccc(/N=C(\N)c3cccs3)cc2)cc1
InChIInChI=1S/C22H24N4OS/c1-16(27)25-19-10-6-18(7-11-19)15-24-13-12-17-4-8-20(9-5-17)26-22(23)21-3-2-14-28-21/h2-11,14,24H,12-13,15H2,1H3,(H2,23,26)(H,25,27)
InChIKeyLXIYSVIEXKHBEA-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.08
Rot. Bonds8

About N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide

N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide (PubChem CID 18765781) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
PubChem CID18765781
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCCc2ccc(/N=C(\N)c3cccs3)cc2)cc1
InChIInChI=1S/C22H24N4OS/c1-16(27)25-19-10-6-18(7-11-19)15-24-13-12-17-4-8-20(9-5-17)26-22(23)21-3-2-14-28-21/h2-11,14,24H,12-13,15H2,1H3,(H2,23,26)(H,25,27)
InChIKeyLXIYSVIEXKHBEA-UHFFFAOYSA-N
XLogP4.08
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide 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

1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-phenylurea
CID 18976281
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-[4-(dimethylamino)phenyl]urea
CID 18765747
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-[4-(dimethylamino)phenyl]urea;hydroiodide
CID 18765775
N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide
CID 70204881
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide
CID 71718237
N'-[4-[2-(3-phenylprop-2-enylamino)ethyl]phenyl]thiophene-2-carboximidamide;hydroiodide
CID 69027776
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(4-phenoxyphenyl)butanamide
CID 22646356
N'-[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]thiophene-2-carboximidamide
CID 18976244
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide
CID 56825547

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide (CID 18765781) is N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCCc2ccc(/N=C(\N)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide?
The InChIKey is LXIYSVIEXKHBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-16(27)25-19-10-6-18(7-11-19)15-24-13-12-17-4-8-20(9-5-17)26-22(23)21-3-2-14-28-21/h2-11,14,24H,12-13,15H2,1H3,(H2,23,26)(H,25,27).
What are the key properties of N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide?
N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide has a molecular weight of 392.53 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 18765781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).