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

C24H35N5O3S — CID 89482813

IUPAC2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCC2(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)CCCCC2)c(C)c1
InChIInChI=1S/C24H35N5O3S/c1-19-7-8-21(20(2)15-19)23(30)25-17-24(9-5-4-6-10-24)28-11-13-29(14-12-28)33(31,32)22-16-27(3)18-26-22/h7-8,15-16,18H,4-6,9-14,17H2,1-3H3,(H,25,30)
InChIKeyKQZWIDIZRKJSNS-UHFFFAOYSA-N
MW473.64 g/mol
LogP2.48
Rot. Bonds6

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

2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide (PubChem CID 89482813) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide
PubChem CID89482813
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC Name2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCC2(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)CCCCC2)c(C)c1
InChIInChI=1S/C24H35N5O3S/c1-19-7-8-21(20(2)15-19)23(30)25-17-24(9-5-4-6-10-24)28-11-13-29(14-12-28)33(31,32)22-16-27(3)18-26-22/h7-8,15-16,18H,4-6,9-14,17H2,1-3H3,(H,25,30)
InChIKeyKQZWIDIZRKJSNS-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide (CID 89482813) is 2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide is Cc1ccc(C(=O)NCC2(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)CCCCC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide?
The InChIKey is KQZWIDIZRKJSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3S/c1-19-7-8-21(20(2)15-19)23(30)25-17-24(9-5-4-6-10-24)28-11-13-29(14-12-28)33(31,32)22-16-27(3)18-26-22/h7-8,15-16,18H,4-6,9-14,17H2,1-3H3,(H,25,30).
What are the key properties of 2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide?
2,4-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 2,4-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 89482813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).