2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide

C24H32ClN3O4S — CID 27800102

IUPAC2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H32ClN3O4S/c25-20-3-1-2-4-21(20)33(31,32)28-7-5-27(6-8-28)23(30)16-26-22(29)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19H,5-16H2,(H,26,29)
InChIKeyJIRLTGJUJNISSK-UHFFFAOYSA-N
MW494.06 g/mol
LogP2.90
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 27800102) has the molecular formula C24H32ClN3O4S and a molecular weight of 494.06 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID27800102
Molecular FormulaC24H32ClN3O4S
Molecular Weight494.06 g/mol
Exact Mass493.18
IUPAC Name2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H32ClN3O4S/c25-20-3-1-2-4-21(20)33(31,32)28-7-5-27(6-8-28)23(30)16-26-22(29)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19H,5-16H2,(H,26,29)
InChIKeyJIRLTGJUJNISSK-UHFFFAOYSA-N
XLogP2.90
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.06
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide
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2-(1-adamantyl)-N-[2-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 55949962
N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 108534238
N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide
CID 157210502
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558
2-(1-adamantyl)-N-[2-[4-(4-methylpentanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 55976680
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 27563305
N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 4272952
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone
CID 55861422
N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55702024
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide (CID 27800102) is 2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is JIRLTGJUJNISSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O4S/c25-20-3-1-2-4-21(20)33(31,32)28-7-5-27(6-8-28)23(30)16-26-22(29)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19H,5-16H2,(H,26,29).
What are the key properties of 2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 494.06 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 27800102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).