N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide

C15H17N3OS — CID 138975215

IUPACN-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide
SMILESCCN/C(=N\Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C15H17N3OS/c1-2-16-15(17-11-12-7-4-3-5-8-12)18-14(19)13-9-6-10-20-13/h3-10H,2,11H2,1H3,(H2,16,17,18,19)
InChIKeyVCAKXZRKTLPUTJ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.64
Rot. Bonds4

About N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide

N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide (PubChem CID 138975215) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide
PubChem CID138975215
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide
SMILESCCN/C(=N\Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C15H17N3OS/c1-2-16-15(17-11-12-7-4-3-5-8-12)18-14(19)13-9-6-10-20-13/h3-10H,2,11H2,1H3,(H2,16,17,18,19)
InChIKeyVCAKXZRKTLPUTJ-UHFFFAOYSA-N
XLogP2.64
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(N'-benzyl-N-ethylcarbamimidoyl)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

Frequently Asked Questions

What is the IUPAC name of N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide?
The IUPAC name of N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide (CID 138975215) is N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide?
The canonical SMILES for N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide is CCN/C(=N\Cc1ccccc1)NC(=O)c1cccs1.
What is the InChIKey of N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide?
The InChIKey is VCAKXZRKTLPUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-16-15(17-11-12-7-4-3-5-8-12)18-14(19)13-9-6-10-20-13/h3-10H,2,11H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide?
N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-benzyl-N-ethylcarbamimidoyl)thiophene-2-carboxamide is sourced from PubChem (CID 138975215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).