N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide

C21H33N3O3S — CID 71716253

IUPACN-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C21H33N3O3S/c1-2-17-28(26,27)24-15-13-23(14-16-24)21(11-7-4-8-12-21)18-22-20(25)19-9-5-3-6-10-19/h3,5-6,9-10H,2,4,7-8,11-18H2,1H3,(H,22,25)
InChIKeyTZGCIYBEOJISSX-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.48
Rot. Bonds7

About N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide

N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide (PubChem CID 71716253) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
PubChem CID71716253
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C21H33N3O3S/c1-2-17-28(26,27)24-15-13-23(14-16-24)21(11-7-4-8-12-21)18-22-20(25)19-9-5-3-6-10-19/h3,5-6,9-10H,2,4,7-8,11-18H2,1H3,(H,22,25)
InChIKeyTZGCIYBEOJISSX-UHFFFAOYSA-N
XLogP2.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide
CID 3342390
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
3-[(1R,5S)-8-[2-[cyclohexylmethyl-(2-methylsulfonylacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183276
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 4784804
1-(4-Methylbenzoyl)-4-(phenylsulfonyl)piperazine
CID 707395
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397
4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134817795
4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145952794
4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145959374

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide (CID 71716253) is N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide is CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccccc3)CCCCC2)CC1.
What is the InChIKey of N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The InChIKey is TZGCIYBEOJISSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-2-17-28(26,27)24-15-13-23(14-16-24)21(11-7-4-8-12-21)18-22-20(25)19-9-5-3-6-10-19/h3,5-6,9-10H,2,4,7-8,11-18H2,1H3,(H,22,25).
What are the key properties of N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide has a molecular weight of 407.58 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 71716253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).