N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

C21H19N3O2S2 — CID 4935194

IUPACN-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=S)NC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C21H19N3O2S2/c1-14(15-8-3-2-4-9-15)22-19(25)16-10-5-6-11-17(16)23-21(27)24-20(26)18-12-7-13-28-18/h2-14H,1H3,(H,22,25)(H2,23,24,26,27)
InChIKeyFCVVMCKXRNOEPW-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.37
Rot. Bonds5

About N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 4935194) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID4935194
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC NameN-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=S)NC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C21H19N3O2S2/c1-14(15-8-3-2-4-9-15)22-19(25)16-10-5-6-11-17(16)23-21(27)24-20(26)18-12-7-13-28-18/h2-14H,1H3,(H,22,25)(H2,23,24,26,27)
InChIKeyFCVVMCKXRNOEPW-UHFFFAOYSA-N
XLogP4.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide 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-(tert-butylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4936533
methyl 4-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178567
N-(1-phenylethyl)-2-[(2-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17045880
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] thiophene-2-carboxylate
CID 42900841
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55534918
N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17150440
2-[(3-ethoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 4957718
2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 17140633
propyl 4-oxo-4-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate
CID 4935286
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 6234194
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 4935194) is N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is CC(NC(=O)c1ccccc1NC(=S)NC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is FCVVMCKXRNOEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-14(15-8-3-2-4-9-15)22-19(25)16-10-5-6-11-17(16)23-21(27)24-20(26)18-12-7-13-28-18/h2-14H,1H3,(H,22,25)(H2,23,24,26,27).
What are the key properties of N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 409.54 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 4935194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).