2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide

C18H28BrN3O4S — CID 24556041

IUPAC2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCN(CC(=O)NCC(C)C)CC1
InChIInChI=1S/C18H28BrN3O4S/c1-4-26-16-6-5-15(19)11-17(16)27(24,25)22-9-7-21(8-10-22)13-18(23)20-12-14(2)3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,20,23)
InChIKeyYCJHSXJDAFSFCH-UHFFFAOYSA-N
MW462.41 g/mol
LogP1.93
Rot. Bonds8

About 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide

2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 24556041) has the molecular formula C18H28BrN3O4S and a molecular weight of 462.41 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID24556041
Molecular FormulaC18H28BrN3O4S
Molecular Weight462.41 g/mol
Exact Mass461.10
IUPAC Name2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCN(CC(=O)NCC(C)C)CC1
InChIInChI=1S/C18H28BrN3O4S/c1-4-26-16-6-5-15(19)11-17(16)27(24,25)22-9-7-21(8-10-22)13-18(23)20-12-14(2)3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,20,23)
InChIKeyYCJHSXJDAFSFCH-UHFFFAOYSA-N
XLogP1.93
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8746920
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 4280017
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2377022
1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine
CID 65245008
N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747802
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184062
[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 17426410
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8804048
2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 9190138
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40941994
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 40941996

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 24556041) is 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide is CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(CC(=O)NCC(C)C)CC1.
What is the InChIKey of 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is YCJHSXJDAFSFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN3O4S/c1-4-26-16-6-5-15(19)11-17(16)27(24,25)22-9-7-21(8-10-22)13-18(23)20-12-14(2)3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 462.41 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 24556041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).