2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide

C15H19BrN2O2S — CID 62490065

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide
SMILESCc1cc(SCC(=O)NC2CCC(=O)NC2)c(C)cc1Br
InChIInChI=1S/C15H19BrN2O2S/c1-9-6-13(10(2)5-12(9)16)21-8-15(20)18-11-3-4-14(19)17-7-11/h5-6,11H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVYYLGUVZBBHLPE-UHFFFAOYSA-N
MW371.30 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide (PubChem CID 62490065) has the molecular formula C15H19BrN2O2S and a molecular weight of 371.30 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide
PubChem CID62490065
Molecular FormulaC15H19BrN2O2S
Molecular Weight371.30 g/mol
Exact Mass370.04
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide
SMILESCc1cc(SCC(=O)NC2CCC(=O)NC2)c(C)cc1Br
InChIInChI=1S/C15H19BrN2O2S/c1-9-6-13(10(2)5-12(9)16)21-8-15(20)18-11-3-4-14(19)17-7-11/h5-6,11H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVYYLGUVZBBHLPE-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide (CID 62490065) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide is Cc1cc(SCC(=O)NC2CCC(=O)NC2)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide?
The InChIKey is VYYLGUVZBBHLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S/c1-9-6-13(10(2)5-12(9)16)21-8-15(20)18-11-3-4-14(19)17-7-11/h5-6,11H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide has a molecular weight of 371.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 62490065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).