2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide

C13H17Cl2N3OS — CID 2350217

IUPAC2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)CSc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2N3OS/c1-17-4-6-18(7-5-17)16-13(19)9-20-12-3-2-10(14)8-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19)
InChIKeyDYAGELMQYPZBOS-UHFFFAOYSA-N
MW334.27 g/mol
LogP2.36
Rot. Bonds4

About 2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide

2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 2350217) has the molecular formula C13H17Cl2N3OS and a molecular weight of 334.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID2350217
Molecular FormulaC13H17Cl2N3OS
Molecular Weight334.27 g/mol
Exact Mass333.05
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)CSc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2N3OS/c1-17-4-6-18(7-5-17)16-13(19)9-20-12-3-2-10(14)8-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19)
InChIKeyDYAGELMQYPZBOS-UHFFFAOYSA-N
XLogP2.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide (CID 2350217) is 2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide is CN1CCN(NC(=O)CSc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is DYAGELMQYPZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3OS/c1-17-4-6-18(7-5-17)16-13(19)9-20-12-3-2-10(14)8-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19).
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 334.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2350217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).