2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide

C10H11Cl2NOS — CID 3888339

IUPAC2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
SMILESO=C(CCl)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NOS/c11-7-10(14)13-5-6-15-9-3-1-8(12)2-4-9/h1-4H,5-7H2,(H,13,14)
InChIKeyDWJLPYPCRJRTDG-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.79
Rot. Bonds5

About 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide

2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide (PubChem CID 3888339) has the molecular formula C10H11Cl2NOS and a molecular weight of 264.18 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
PubChem CID3888339
Molecular FormulaC10H11Cl2NOS
Molecular Weight264.18 g/mol
Exact Mass262.99
IUPAC Name2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
SMILESO=C(CCl)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NOS/c11-7-10(14)13-5-6-15-9-3-1-8(12)2-4-9/h1-4H,5-7H2,(H,13,14)
InChIKeyDWJLPYPCRJRTDG-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide (CID 3888339) is 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide is O=C(CCl)NCCSc1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
The InChIKey is DWJLPYPCRJRTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NOS/c11-7-10(14)13-5-6-15-9-3-1-8(12)2-4-9/h1-4H,5-7H2,(H,13,14).
What are the key properties of 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide?
2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide has a molecular weight of 264.18 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 3888339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).