2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide

C11H14ClNOS2 — CID 155928372

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCCCS
InChIInChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14)
InChIKeyWUPWUIRPSWIHOS-UHFFFAOYSA-N
MW275.83 g/mol
LogP2.87
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide (PubChem CID 155928372) has the molecular formula C11H14ClNOS2 and a molecular weight of 275.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide
PubChem CID155928372
Molecular FormulaC11H14ClNOS2
Molecular Weight275.83 g/mol
Exact Mass275.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCCCS
InChIInChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14)
InChIKeyWUPWUIRPSWIHOS-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.83
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide (CID 155928372) is 2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide is O=C(CSc1ccc(Cl)cc1)NCCCS.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide?
The InChIKey is WUPWUIRPSWIHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide has a molecular weight of 275.83 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3-sulfanylpropyl)acetamide is sourced from PubChem (CID 155928372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).