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

C17H19N5O3S — CID 24793767

IUPACN-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C17H19N5O3S/c18-10-14-4-6-15(7-5-14)20-16(23)11-21-12-17(19-13-21)26(24,25)22-8-2-1-3-9-22/h4-7,12-13H,1-3,8-9,11H2,(H,20,23)
InChIKeyRRXVUUZGRROZAH-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.57
Rot. Bonds5

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

N-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 24793767) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID24793767
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C17H19N5O3S/c18-10-14-4-6-15(7-5-14)20-16(23)11-21-12-17(19-13-21)26(24,25)22-8-2-1-3-9-22/h4-7,12-13H,1-3,8-9,11H2,(H,20,23)
InChIKeyRRXVUUZGRROZAH-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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Related Compounds

N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonylamino]acetamide
CID 11409845
Sulfonamide 12o
CID 11226024
N-tert-Butyl-2-[[6-cyano-1-(3-methyl-3H-imidazol-4-ylmethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-(1-methyl-1H-imidazole-4-sulfonyl)amino]acetamide
CID 11307004
N-allyl-N-(2-((4-cyanophenyl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 16086173
N-(2-((4-cyanophenyl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)-1-methyl-N-(2-methylallyl)-1H-imidazole-4-sulfonamide
CID 16086174
N-[2-[4-cyano-N-[(3-methylimidazol-4-yl)methyl]anilino]ethyl]-1-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]imidazole-4-sulfonamide
CID 16086177
N~1~-(3,5-dimethylphenyl)-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 3238319
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(3-methylphenyl)glycinamide
CID 3238708
N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3241696
N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3242361
N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]acetamide
CID 4237565
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4878648

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 24793767) is N-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is N#Cc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is RRXVUUZGRROZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c18-10-14-4-6-15(7-5-14)20-16(23)11-21-12-17(19-13-21)26(24,25)22-8-2-1-3-9-22/h4-7,12-13H,1-3,8-9,11H2,(H,20,23).
What are the key properties of N-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-(4-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-(4-cyanophenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 24793767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).