3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide

C22H27N3O3S — CID 55461868

IUPAC3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)NC3(c4ccccc4)CCC3)c2)CC1
InChIInChI=1S/C22H27N3O3S/c1-24-13-15-25(16-14-24)29(27,28)20-10-5-7-18(17-20)21(26)23-22(11-6-12-22)19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3,(H,23,26)
InChIKeyIAFVSZNOFZTKLZ-UHFFFAOYSA-N
MW413.54 g/mol
LogP2.43
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide

3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide (PubChem CID 55461868) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide
PubChem CID55461868
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)NC3(c4ccccc4)CCC3)c2)CC1
InChIInChI=1S/C22H27N3O3S/c1-24-13-15-25(16-14-24)29(27,28)20-10-5-7-18(17-20)21(26)23-22(11-6-12-22)19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3,(H,23,26)
InChIKeyIAFVSZNOFZTKLZ-UHFFFAOYSA-N
XLogP2.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
CID 86948603
ethyl 1-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]cyclohexane-1-carboxylate
CID 55993738
3-(azepan-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide chloride
CID 53351285
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 51555310
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 41183490
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
CID 50875377
1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 17418883
N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55656722
N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55612909

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide (CID 55461868) is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide is CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3(c4ccccc4)CCC3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide?
The InChIKey is IAFVSZNOFZTKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-24-13-15-25(16-14-24)29(27,28)20-10-5-7-18(17-20)21(26)23-22(11-6-12-22)19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3,(H,23,26).
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide?
3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide has a molecular weight of 413.54 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide is sourced from PubChem (CID 55461868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).