4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

C23H28N4O2S — CID 22778153

IUPAC4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C23H28N4O2S/c1-3-17-9-11-18(12-10-17)22(29)25-23(30)24-19-7-5-6-8-20(19)26-13-15-27(16-14-26)21(28)4-2/h5-12H,3-4,13-16H2,1-2H3,(H2,24,25,29,30)
InChIKeySBJDCNZKVCEWPJ-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.43
Rot. Bonds5

About 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide (PubChem CID 22778153) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
PubChem CID22778153
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C23H28N4O2S/c1-3-17-9-11-18(12-10-17)22(29)25-23(30)24-19-7-5-6-8-20(19)26-13-15-27(16-14-26)21(28)4-2/h5-12H,3-4,13-16H2,1-2H3,(H2,24,25,29,30)
InChIKeySBJDCNZKVCEWPJ-UHFFFAOYSA-N
XLogP3.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide 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

2-methyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]propanamide
CID 17100668
N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 17110097
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-bromobenzamide
CID 17110048
3-(2-methylpropoxy)-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 17110092
4-bromo-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 4530285
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 22779701
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
4-butoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 2958249
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 3619816
4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 22775492
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide (CID 22778153) is 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide is CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(CC)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
The InChIKey is SBJDCNZKVCEWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-3-17-9-11-18(12-10-17)22(29)25-23(30)24-19-7-5-6-8-20(19)26-13-15-27(16-14-26)21(28)4-2/h5-12H,3-4,13-16H2,1-2H3,(H2,24,25,29,30).
What are the key properties of 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide has a molecular weight of 424.57 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 22778153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).