N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide

C20H24BrN3OS — CID 17477048

IUPACN-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C20H24BrN3OS/c1-2-23-11-13-24(14-12-23)15-20(25)22-17-5-9-19(10-6-17)26-18-7-3-16(21)4-8-18/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyCSZWHBGFXHZRIV-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.18
Rot. Bonds6

About N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide

N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 17477048) has the molecular formula C20H24BrN3OS and a molecular weight of 434.40 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID17477048
Molecular FormulaC20H24BrN3OS
Molecular Weight434.40 g/mol
Exact Mass433.08
IUPAC NameN-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C20H24BrN3OS/c1-2-23-11-13-24(14-12-23)15-20(25)22-17-5-9-19(10-6-17)26-18-7-3-16(21)4-8-18/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyCSZWHBGFXHZRIV-UHFFFAOYSA-N
XLogP4.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)sulfanylphenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 17426326
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 46525245
N-(4-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1095013
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 167965653

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide (CID 17477048) is N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is CSZWHBGFXHZRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3OS/c1-2-23-11-13-24(14-12-23)15-20(25)22-17-5-9-19(10-6-17)26-18-7-3-16(21)4-8-18/h3-10H,2,11-15H2,1H3,(H,22,25).
What are the key properties of N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 434.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 17477048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).