N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide

C17H19N5O3S — CID 24792837

IUPACN-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C17H19N5O3S/c18-10-14-5-4-6-15(9-14)20-16(23)11-21-12-17(19-13-21)26(24,25)22-7-2-1-3-8-22/h4-6,9,12-13H,1-3,7-8,11H2,(H,20,23)
InChIKeyWZQUESDLBQFFNM-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.57
Rot. Bonds5

About N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide

N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 24792837) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID24792837
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C17H19N5O3S/c18-10-14-5-4-6-15(9-14)20-16(23)11-21-12-17(19-13-21)26(24,25)22-7-2-1-3-8-22/h4-6,9,12-13H,1-3,7-8,11H2,(H,20,23)
InChIKeyWZQUESDLBQFFNM-UHFFFAOYSA-N
XLogP1.57
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.57
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-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 24792837) is N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is N#Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is WZQUESDLBQFFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c18-10-14-5-4-6-15(9-14)20-16(23)11-21-12-17(19-13-21)26(24,25)22-7-2-1-3-8-22/h4-6,9,12-13H,1-3,7-8,11H2,(H,20,23).
What are the key properties of N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-(3-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 373.44 g/mol, XLogP of 1.57, 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-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 24792837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).