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

C18H24N4O4S — CID 53085419

IUPACN-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C18H24N4O4S/c1-3-26-16-6-4-15(5-7-16)20-18(23)14-8-10-22(11-9-14)27(24,25)17-12-21(2)13-19-17/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyRRHQXBURSSLWES-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.86
Rot. Bonds6

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

N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085419) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085419
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C18H24N4O4S/c1-3-26-16-6-4-15(5-7-16)20-18(23)14-8-10-22(11-9-14)27(24,25)17-12-21(2)13-19-17/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyRRHQXBURSSLWES-UHFFFAOYSA-N
XLogP1.86
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53085439
N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085413
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53085431
(3R)-N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710886
N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958655
N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915615
1-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 7947516
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
1-(4-ethoxyphenyl)sulfonyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 30859462
N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949492

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085419) is N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RRHQXBURSSLWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-3-26-16-6-4-15(5-7-16)20-18(23)14-8-10-22(11-9-14)27(24,25)17-12-21(2)13-19-17/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).