N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C18H22N4O4S — CID 53085413

IUPACN-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C18H22N4O4S/c1-13(23)14-3-5-16(6-4-14)20-18(24)15-7-9-22(10-8-15)27(25,26)17-11-21(2)12-19-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,24)
InChIKeyWWLXZDNFDORXKC-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.66
Rot. Bonds5

About N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085413) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085413
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C18H22N4O4S/c1-13(23)14-3-5-16(6-4-14)20-18(24)15-7-9-22(10-8-15)27(25,26)17-11-21(2)12-19-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,24)
InChIKeyWWLXZDNFDORXKC-UHFFFAOYSA-N
XLogP1.66
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53085439
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53085431
N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085419
N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085415
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958655
(3R)-N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710886
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 53085516
ethyl 4-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 53085575
N-(4-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085553

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085413) is N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is WWLXZDNFDORXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-13(23)14-3-5-16(6-4-14)20-18(24)15-7-9-22(10-8-15)27(25,26)17-11-21(2)12-19-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,24).
What are the key properties of N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).