N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide

C18H21N5O3S — CID 24790985

IUPACN-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3cccc(C#N)c3)cn2)CC1
InChIInChI=1S/C18H21N5O3S/c1-14-5-7-23(8-6-14)27(25,26)18-12-22(13-20-18)11-17(24)21-16-4-2-3-15(9-16)10-19/h2-4,9,12-14H,5-8,11H2,1H3,(H,21,24)
InChIKeyLACVJBNEONNBCM-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.81
Rot. Bonds5

About N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide

N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide (PubChem CID 24790985) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
PubChem CID24790985
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3cccc(C#N)c3)cn2)CC1
InChIInChI=1S/C18H21N5O3S/c1-14-5-7-23(8-6-14)27(25,26)18-12-22(13-20-18)11-17(24)21-16-4-2-3-15(9-16)10-19/h2-4,9,12-14H,5-8,11H2,1H3,(H,21,24)
InChIKeyLACVJBNEONNBCM-UHFFFAOYSA-N
XLogP1.81
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide (CID 24790985) is N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide is CC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3cccc(C#N)c3)cn2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The InChIKey is LACVJBNEONNBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-14-5-7-23(8-6-14)27(25,26)18-12-22(13-20-18)11-17(24)21-16-4-2-3-15(9-16)10-19/h2-4,9,12-14H,5-8,11H2,1H3,(H,21,24).
What are the key properties of N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide has a molecular weight of 387.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide is sourced from PubChem (CID 24790985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).