2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide

C16H25N3OS — CID 119448232

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H25N3OS/c1-13-3-4-14(2)15(11-13)21-12-16(20)18-7-10-19-8-5-17-6-9-19/h3-4,11,17H,5-10,12H2,1-2H3,(H,18,20)
InChIKeyDCYVACWHIDKTSN-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.42
Rot. Bonds6

About 2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 119448232) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID119448232
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H25N3OS/c1-13-3-4-14(2)15(11-13)21-12-16(20)18-7-10-19-8-5-17-6-9-19/h3-4,11,17H,5-10,12H2,1-2H3,(H,18,20)
InChIKeyDCYVACWHIDKTSN-UHFFFAOYSA-N
XLogP1.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429425
1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine
CID 117034526
2-(4-methylphenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390590
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 35499280
2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide
CID 115612499
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446180
2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392216
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119508375
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392699
2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446088

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide (CID 119448232) is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide is Cc1ccc(C)c(SCC(=O)NCCN2CCNCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is DCYVACWHIDKTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-13-3-4-14(2)15(11-13)21-12-16(20)18-7-10-19-8-5-17-6-9-19/h3-4,11,17H,5-10,12H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 307.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 119448232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).