2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide

C15H23N3OS — CID 9205311

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(SCC(=O)NN2CCN(C)CC2)cc1C
InChIInChI=1S/C15H23N3OS/c1-12-4-5-14(10-13(12)2)20-11-15(19)16-18-8-6-17(3)7-9-18/h4-5,10H,6-9,11H2,1-3H3,(H,16,19)
InChIKeyYGGUOUPYYJSOTE-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.67
Rot. Bonds4

About 2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide

2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 9205311) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID9205311
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(SCC(=O)NN2CCN(C)CC2)cc1C
InChIInChI=1S/C15H23N3OS/c1-12-4-5-14(10-13(12)2)20-11-15(19)16-18-8-6-17(3)7-9-18/h4-5,10H,6-9,11H2,1-3H3,(H,16,19)
InChIKeyYGGUOUPYYJSOTE-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide
CID 9271687
2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
CID 9205759
2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 29318902
N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 36553979
2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26579620
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8787700
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
N-(4-methylpiperazin-1-yl)-3-phenacylsulfanylbenzamide
CID 84557109
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide
CID 8844305

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide (CID 9205311) is 2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide is Cc1ccc(SCC(=O)NN2CCN(C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is YGGUOUPYYJSOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12-4-5-14(10-13(12)2)20-11-15(19)16-18-8-6-17(3)7-9-18/h4-5,10H,6-9,11H2,1-3H3,(H,16,19).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9205311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).