4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

C22H29N3O3S — CID 55472136

IUPAC4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-17(2)19-8-10-21(11-9-19)29(27,28)25-14-12-24(13-15-25)16-18-4-6-20(7-5-18)22(23)26/h4-11,17H,3,12-16H2,1-2H3,(H2,23,26)
InChIKeyPRJGVWJBHSLNEU-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.81
Rot. Bonds7

About 4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide (PubChem CID 55472136) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
PubChem CID55472136
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-17(2)19-8-10-21(11-9-19)29(27,28)25-14-12-24(13-15-25)16-18-4-6-20(7-5-18)22(23)26/h4-11,17H,3,12-16H2,1-2H3,(H2,23,26)
InChIKeyPRJGVWJBHSLNEU-UHFFFAOYSA-N
XLogP2.81
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34702019
3-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]ethylsulfonyl]propanamide
CID 43011312
(2R)-2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-(4-chlorophenyl)acetamide
CID 41320795
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-phenylpropyl)benzamide
CID 133229213
ethyl 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate
CID 26945193
1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060359
4-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 34691733
4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34686570
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 55634478
1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine
CID 71189179
1-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 31380445

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide (CID 55472136) is 4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide is CCC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide?
The InChIKey is PRJGVWJBHSLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-17(2)19-8-10-21(11-9-19)29(27,28)25-14-12-24(13-15-25)16-18-4-6-20(7-5-18)22(23)26/h4-11,17H,3,12-16H2,1-2H3,(H2,23,26).
What are the key properties of 4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide?
4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide has a molecular weight of 415.56 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 55472136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).