4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide

C22H31N3O5S — CID 166195803

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCC3(O)CC4CCC3C4)cc2)CC1
InChIInChI=1S/C22H31N3O5S/c1-16(26)24-10-12-25(13-11-24)31(29,30)20-6-3-18(4-7-20)21(27)23-9-8-22(28)15-17-2-5-19(22)14-17/h3-4,6-7,17,19,28H,2,5,8-15H2,1H3,(H,23,27)
InChIKeyZIJTUIPTOJSKME-UHFFFAOYSA-N
MW449.57 g/mol
LogP1.21
Rot. Bonds6

About 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide

4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide (PubChem CID 166195803) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
PubChem CID166195803
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCC3(O)CC4CCC3C4)cc2)CC1
InChIInChI=1S/C22H31N3O5S/c1-16(26)24-10-12-25(13-11-24)31(29,30)20-6-3-18(4-7-20)21(27)23-9-8-22(28)15-17-2-5-19(22)14-17/h3-4,6-7,17,19,28H,2,5,8-15H2,1H3,(H,23,27)
InChIKeyZIJTUIPTOJSKME-UHFFFAOYSA-N
XLogP1.21
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide with MolForge

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Related Compounds

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4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
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N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
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4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
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2-[[4-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
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CID 2927302
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide (CID 166195803) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide is CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCC3(O)CC4CCC3C4)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide?
The InChIKey is ZIJTUIPTOJSKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-16(26)24-10-12-25(13-11-24)31(29,30)20-6-3-18(4-7-20)21(27)23-9-8-22(28)15-17-2-5-19(22)14-17/h3-4,6-7,17,19,28H,2,5,8-15H2,1H3,(H,23,27).
What are the key properties of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide?
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide has a molecular weight of 449.57 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]benzamide is sourced from PubChem (CID 166195803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).