2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide

C14H15Cl2N3OS — CID 4097364

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NCCCn1ccnc1
InChIInChI=1S/C14H15Cl2N3OS/c15-11-2-3-12(16)13(8-11)21-9-14(20)18-4-1-6-19-7-5-17-10-19/h2-3,5,7-8,10H,1,4,6,9H2,(H,18,20)
InChIKeyWXEZZADWOPKCNP-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.49
Rot. Bonds7

About 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 4097364) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID4097364
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NCCCn1ccnc1
InChIInChI=1S/C14H15Cl2N3OS/c15-11-2-3-12(16)13(8-11)21-9-14(20)18-4-1-6-19-7-5-17-10-19/h2-3,5,7-8,10H,1,4,6,9H2,(H,18,20)
InChIKeyWXEZZADWOPKCNP-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide (CID 4097364) is 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide is O=C(CSc1cc(Cl)ccc1Cl)NCCCn1ccnc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is WXEZZADWOPKCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c15-11-2-3-12(16)13(8-11)21-9-14(20)18-4-1-6-19-7-5-17-10-19/h2-3,5,7-8,10H,1,4,6,9H2,(H,18,20).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 344.27 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 4097364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).