2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide

C15H19N3OS — CID 2954742

IUPAC2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCSc1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H19N3OS/c1-2-20-14-7-4-3-6-13(14)15(19)17-8-5-10-18-11-9-16-12-18/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H,17,19)
InChIKeyOJZRHNKMJKSJPS-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.82
Rot. Bonds7

About 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide

2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 2954742) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID2954742
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCSc1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H19N3OS/c1-2-20-14-7-4-3-6-13(14)15(19)17-8-5-10-18-11-9-16-12-18/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H,17,19)
InChIKeyOJZRHNKMJKSJPS-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide 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 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide (CID 2954742) is 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide is CCSc1ccccc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is OJZRHNKMJKSJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-20-14-7-4-3-6-13(14)15(19)17-8-5-10-18-11-9-16-12-18/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H,17,19).
What are the key properties of 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide?
2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 2954742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).