N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide

C18H30ClN5OS — CID 111358856

IUPACN-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)C)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C18H30ClN5OS/c1-4-20-18(22-8-7-21-17(25)14(2)3)24-11-9-23(10-12-24)13-15-5-6-16(19)26-15/h5-6,14H,4,7-13H2,1-3H3,(H,20,22)(H,21,25)
InChIKeyKBAJRULSKWBUJD-UHFFFAOYSA-N
MW399.99 g/mol
LogP2.26
Rot. Bonds7

About N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide

N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide (PubChem CID 111358856) has the molecular formula C18H30ClN5OS and a molecular weight of 399.99 g/mol. Its IUPAC name is N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
PubChem CID111358856
Molecular FormulaC18H30ClN5OS
Molecular Weight399.99 g/mol
Exact Mass399.19
IUPAC NameN-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)C)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C18H30ClN5OS/c1-4-20-18(22-8-7-21-17(25)14(2)3)24-11-9-23(10-12-24)13-15-5-6-16(19)26-15/h5-6,14H,4,7-13H2,1-3H3,(H,20,22)(H,21,25)
InChIKeyKBAJRULSKWBUJD-UHFFFAOYSA-N
XLogP2.26
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 52.26
H-Bond Donors ≤ 52
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-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide 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

N-[2-[[C-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111358853
4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962873
N-[2-[[ethylamino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111165791
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(propylamino)ethanone
CID 60687899
N-[2-[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111238120
N-[2-[[ethylamino-[4-(3-methylphenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111421386
N-[2-[[(4-benzylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 110960051
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243
2-bromo-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 62854509
4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 86912545
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-hydroxypentan-1-one
CID 79204548
N-butan-2-yl-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 47007098

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide (CID 111358856) is N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide is CCN/C(=N\CCNC(=O)C(C)C)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide?
The InChIKey is KBAJRULSKWBUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN5OS/c1-4-20-18(22-8-7-21-17(25)14(2)3)24-11-9-23(10-12-24)13-15-5-6-16(19)26-15/h5-6,14H,4,7-13H2,1-3H3,(H,20,22)(H,21,25).
What are the key properties of N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide?
N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide has a molecular weight of 399.99 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 111358856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).