2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide

C24H35N5O3S — CID 89483503

IUPAC2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide
SMILESCc1cccc(C)c1C(=O)NCC1(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)CCCCC1
InChIInChI=1S/C24H35N5O3S/c1-19-8-7-9-20(2)22(19)23(30)25-17-24(10-5-4-6-11-24)28-12-14-29(15-13-28)33(31,32)21-16-27(3)18-26-21/h7-9,16,18H,4-6,10-15,17H2,1-3H3,(H,25,30)
InChIKeyLWYWVYZSYICKSF-UHFFFAOYSA-N
MW473.64 g/mol
LogP2.48
Rot. Bonds6

About 2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide

2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide (PubChem CID 89483503) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide
PubChem CID89483503
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC Name2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide
SMILESCc1cccc(C)c1C(=O)NCC1(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)CCCCC1
InChIInChI=1S/C24H35N5O3S/c1-19-8-7-9-20(2)22(19)23(30)25-17-24(10-5-4-6-11-24)28-12-14-29(15-13-28)33(31,32)21-16-27(3)18-26-21/h7-9,16,18H,4-6,10-15,17H2,1-3H3,(H,25,30)
InChIKeyLWYWVYZSYICKSF-UHFFFAOYSA-N
XLogP2.48
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide
CID 89482813
2,6-difluoro-N-[[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]oxan-4-yl]methyl]benzamide
CID 89483502
2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 54764523
3-[4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]-1-(2-fluoro-6-methylphenyl)propan-1-one;hydrochloride
CID 160670109
2-chloro-N-[[4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]-4-fluorobenzamide
CID 54764014
1-(4-fluoro-2-methylphenyl)-3-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]propan-1-one
CID 58561709
1-(4-fluoro-2-methylphenyl)-3-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]propan-1-one;hydrochloride
CID 159691787
N-[difluoro-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide
CID 140572786
1-(2,6-difluorophenyl)-3-[3-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]oxan-3-yl]propan-1-one;hydrochloride
CID 161199701
2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide
CID 59164303
2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide
CID 89482720
1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20958601

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide (CID 89483503) is 2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide is Cc1cccc(C)c1C(=O)NCC1(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)CCCCC1.
What is the InChIKey of 2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide?
The InChIKey is LWYWVYZSYICKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3S/c1-19-8-7-9-20(2)22(19)23(30)25-17-24(10-5-4-6-11-24)28-12-14-29(15-13-28)33(31,32)21-16-27(3)18-26-21/h7-9,16,18H,4-6,10-15,17H2,1-3H3,(H,25,30).
What are the key properties of 2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide?
2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide has a molecular weight of 473.64 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 89483503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).