N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide

C24H39N3O3S — CID 140572752

IUPACN-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccccc3)CCCC(C(C)C)C2)CC1
InChIInChI=1S/C24H39N3O3S/c1-4-17-31(29,30)27-15-13-26(14-16-27)24(12-8-11-22(18-24)20(2)3)19-25-23(28)21-9-6-5-7-10-21/h5-7,9-10,20,22H,4,8,11-19H2,1-3H3,(H,25,28)
InChIKeyCUOBQOSGTBJERP-UHFFFAOYSA-N
MW449.66 g/mol
LogP3.36
Rot. Bonds8

About N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide

N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide (PubChem CID 140572752) has the molecular formula C24H39N3O3S and a molecular weight of 449.66 g/mol. Its IUPAC name is N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
PubChem CID140572752
Molecular FormulaC24H39N3O3S
Molecular Weight449.66 g/mol
Exact Mass449.27
IUPAC NameN-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccccc3)CCCC(C(C)C)C2)CC1
InChIInChI=1S/C24H39N3O3S/c1-4-17-31(29,30)27-15-13-26(14-16-27)24(12-8-11-22(18-24)20(2)3)19-25-23(28)21-9-6-5-7-10-21/h5-7,9-10,20,22H,4,8,11-19H2,1-3H3,(H,25,28)
InChIKeyCUOBQOSGTBJERP-UHFFFAOYSA-N
XLogP3.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.66
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide with MolForge

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Related Compounds

4-phenylmethoxy-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 89482238
N-[[1-(4-propylsulfonylpiperazin-1-yl)cycloheptyl]methyl]-4-(trifluoromethyl)benzamide
CID 54764427
2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 54764523
N-methylsulfanyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 123313384
N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 110810200
N-[[4,4-difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2,6-difluorobenzamide
CID 71582799
2,6-dichloro-N-[[4,4-difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 89482512
N-[dichloro-[1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methyl]benzamide;hydrochloride
CID 140572757
4-chloro-2-methyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 54764258
2-chloro-3-methoxy-N-[[1-(4-propylsulfonylpiperazin-1-yl)cycloheptyl]methyl]benzamide
CID 54764431
2-chloro-4-cyclopropyl-N-[[4,4-difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 89482699
1-(3-methylphenyl)-3-[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]propan-1-one
CID 58561681

Frequently Asked Questions

What is the IUPAC name of N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide (CID 140572752) is N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide is CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccccc3)CCCC(C(C)C)C2)CC1.
What is the InChIKey of N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The InChIKey is CUOBQOSGTBJERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3S/c1-4-17-31(29,30)27-15-13-26(14-16-27)24(12-8-11-22(18-24)20(2)3)19-25-23(28)21-9-6-5-7-10-21/h5-7,9-10,20,22H,4,8,11-19H2,1-3H3,(H,25,28).
What are the key properties of N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide has a molecular weight of 449.66 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-propan-2-yl-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 140572752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).