4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine

C23H35N3O4S — CID 3419642

IUPAC4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(c3nccn3CCOCCOCC)CC2)cc1
InChIInChI=1S/C23H35N3O4S/c1-3-5-20-6-8-22(9-7-20)31(27,28)26-13-10-21(11-14-26)23-24-12-15-25(23)16-17-30-19-18-29-4-2/h6-9,12,15,21H,3-5,10-11,13-14,16-19H2,1-2H3
InChIKeyKWEGTJWZWVQYHB-UHFFFAOYSA-N
MW449.62 g/mol
LogP3.46
Rot. Bonds12

About 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine

4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine (PubChem CID 3419642) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine
PubChem CID3419642
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC Name4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(c3nccn3CCOCCOCC)CC2)cc1
InChIInChI=1S/C23H35N3O4S/c1-3-5-20-6-8-22(9-7-20)31(27,28)26-13-10-21(11-14-26)23-24-12-15-25(23)16-17-30-19-18-29-4-2/h6-9,12,15,21H,3-5,10-11,13-14,16-19H2,1-2H3
InChIKeyKWEGTJWZWVQYHB-UHFFFAOYSA-N
XLogP3.46
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 3719755
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 3867153
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 90561440
2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 5015414
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3312454
4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine
CID 72924987
2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90637218
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980269

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine?
The IUPAC name of 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine (CID 3419642) is 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine is CCCc1ccc(S(=O)(=O)N2CCC(c3nccn3CCOCCOCC)CC2)cc1.
What is the InChIKey of 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine?
The InChIKey is KWEGTJWZWVQYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S/c1-3-5-20-6-8-22(9-7-20)31(27,28)26-13-10-21(11-14-26)23-24-12-15-25(23)16-17-30-19-18-29-4-2/h6-9,12,15,21H,3-5,10-11,13-14,16-19H2,1-2H3.
What are the key properties of 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine?
4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine has a molecular weight of 449.62 g/mol, XLogP of 3.46, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]-1-(4-propylphenyl)sulfonylpiperidine is sourced from PubChem (CID 3419642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).