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

C14H16Cl3N3OS — CID 18774666

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(CSc1cc(Cl)ccc1Cl)NCCCn1ccnc1
InChIInChI=1S/C14H15Cl2N3OS.ClH/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);1H
InChIKeyDDFZTBLYHIAINY-UHFFFAOYSA-N
MW380.73 g/mol
LogP3.91
Rot. Bonds7

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

2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride (PubChem CID 18774666) has the molecular formula C14H16Cl3N3OS and a molecular weight of 380.73 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
PubChem CID18774666
Molecular FormulaC14H16Cl3N3OS
Molecular Weight380.73 g/mol
Exact Mass379.01
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(CSc1cc(Cl)ccc1Cl)NCCCn1ccnc1
InChIInChI=1S/C14H15Cl2N3OS.ClH/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);1H
InChIKeyDDFZTBLYHIAINY-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.73
LogP ≤ 53.91
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;hydrochloride?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride (CID 18774666) is 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(CSc1cc(Cl)ccc1Cl)NCCCn1ccnc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is DDFZTBLYHIAINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS.ClH/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);1H.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 380.73 g/mol, XLogP of 3.91, 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;hydrochloride is sourced from PubChem (CID 18774666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).