N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide

C17H28N4O3S — CID 20949625

IUPACN-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)NC3CCCCC3)cn2)CC1
InChIInChI=1S/C17H28N4O3S/c1-14-7-9-21(10-8-14)25(23,24)17-12-20(13-18-17)11-16(22)19-15-5-3-2-4-6-15/h12-15H,2-11H2,1H3,(H,19,22)
InChIKeyPXHIVBLTVGWVQI-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.75
Rot. Bonds5

About N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide

N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide (PubChem CID 20949625) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
PubChem CID20949625
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)NC3CCCCC3)cn2)CC1
InChIInChI=1S/C17H28N4O3S/c1-14-7-9-21(10-8-14)25(23,24)17-12-20(13-18-17)11-16(22)19-15-5-3-2-4-6-15/h12-15H,2-11H2,1H3,(H,19,22)
InChIKeyPXHIVBLTVGWVQI-UHFFFAOYSA-N
XLogP1.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide (CID 20949625) is N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide is CC1CCN(S(=O)(=O)c2cn(CC(=O)NC3CCCCC3)cn2)CC1.
What is the InChIKey of N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The InChIKey is PXHIVBLTVGWVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-14-7-9-21(10-8-14)25(23,24)17-12-20(13-18-17)11-16(22)19-15-5-3-2-4-6-15/h12-15H,2-11H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide has a molecular weight of 368.50 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide is sourced from PubChem (CID 20949625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).