N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C17H22N4O4S — CID 20862157

IUPACN-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1
InChIInChI=1S/C17H22N4O4S/c1-2-25-15-7-5-14(6-8-15)20-17(22)13-4-3-9-21(11-13)26(23,24)16-10-18-12-19-16/h5-8,10,12-13H,2-4,9,11H2,1H3,(H,18,19)(H,20,22)
InChIKeyZJLWJJGYOFTCCX-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.85
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 20862157) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID20862157
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1
InChIInChI=1S/C17H22N4O4S/c1-2-25-15-7-5-14(6-8-15)20-17(22)13-4-3-9-21(11-13)26(23,24)16-10-18-12-19-16/h5-8,10,12-13H,2-4,9,11H2,1H3,(H,18,19)(H,20,22)
InChIKeyZJLWJJGYOFTCCX-UHFFFAOYSA-N
XLogP1.85
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 20938153
N-(4-isopropoxyphenyl)-2-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2-azabicyclo[2.2.2]octane-6-carboxamide
CID 45482507
1-(1H-imidazol-5-ylsulfonyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
CID 5307441
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 5307461
N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5307984
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308794
1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 5309093
[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 5309632
1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine
CID 5309722
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 9551091
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 16020407
(1S,4S,6R)-2-(1-methylimidazol-4-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)-2-azabicyclo[2.2.2]octane-6-carboxamide
CID 44184500

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 20862157) is N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is CCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is ZJLWJJGYOFTCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-2-25-15-7-5-14(6-8-15)20-17(22)13-4-3-9-21(11-13)26(23,24)16-10-18-12-19-16/h5-8,10,12-13H,2-4,9,11H2,1H3,(H,18,19)(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 20862157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).