2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide

C15H21BrN2OS — CID 53278905

IUPAC2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CSCc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrN2OS/c1-18-8-6-14(7-9-18)17-15(19)11-20-10-12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3,(H,17,19)
InChIKeyUFFSVTQMHSHLQA-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.89
Rot. Bonds5

About 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide

2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 53278905) has the molecular formula C15H21BrN2OS and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID53278905
Molecular FormulaC15H21BrN2OS
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CSCc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrN2OS/c1-18-8-6-14(7-9-18)17-15(19)11-20-10-12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3,(H,17,19)
InChIKeyUFFSVTQMHSHLQA-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 134017051
2-[(4-bromophenyl)methylsulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 2972310
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
2-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 110463124
N-(1-propylpiperidin-4-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 51090883
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
CID 119388300
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55754018
2-[(4-cyanophenyl)methylsulfanyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 55740120
ethyl 4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 55739746
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide (CID 53278905) is 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)CSCc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is UFFSVTQMHSHLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2OS/c1-18-8-6-14(7-9-18)17-15(19)11-20-10-12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3,(H,17,19).
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide?
2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 357.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 53278905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).