2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide

C16H24BrN3O3S — CID 40751750

IUPAC2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN3O3S/c1-16(2,3)18-15(21)12-19-7-9-20(10-8-19)24(22,23)14-6-4-5-13(17)11-14/h4-6,11H,7-10,12H2,1-3H3,(H,18,21)
InChIKeyYIXCVTYDGUCQNI-UHFFFAOYSA-N
MW418.36 g/mol
LogP1.67
Rot. Bonds4

About 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide

2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide (PubChem CID 40751750) has the molecular formula C16H24BrN3O3S and a molecular weight of 418.36 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide
PubChem CID40751750
Molecular FormulaC16H24BrN3O3S
Molecular Weight418.36 g/mol
Exact Mass417.07
IUPAC Name2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN3O3S/c1-16(2,3)18-15(21)12-19-7-9-20(10-8-19)24(22,23)14-6-4-5-13(17)11-14/h4-6,11H,7-10,12H2,1-3H3,(H,18,21)
InChIKeyYIXCVTYDGUCQNI-UHFFFAOYSA-N
XLogP1.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide 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-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 31373840
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55354494
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46801559
N-tert-butyl-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide
CID 8843443
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8690942
N-tert-butyl-2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide
CID 24651337
methyl 4-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzoate
CID 32691258
N-(tert-butylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2698072
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylpropanamide
CID 60516391
3-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzenesulfonyl fluoride
CID 166407090
N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 37307613
N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 40752351

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide (CID 40751750) is 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide?
The InChIKey is YIXCVTYDGUCQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O3S/c1-16(2,3)18-15(21)12-19-7-9-20(10-8-19)24(22,23)14-6-4-5-13(17)11-14/h4-6,11H,7-10,12H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide?
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide has a molecular weight of 418.36 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-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 40751750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).