N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C19H26N4O5S — CID 5309037

IUPACN-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
InChIInChI=1S/C19H26N4O5S/c1-3-27-15-7-8-17(28-4-2)16(10-15)22-19(24)14-6-5-9-23(12-14)29(25,26)18-11-20-13-21-18/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyWWGQZUBMGLERMF-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.25
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5309037) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5309037
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC NameN-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
InChIInChI=1S/C19H26N4O5S/c1-3-27-15-7-8-17(28-4-2)16(10-15)22-19(24)14-6-5-9-23(12-14)29(25,26)18-11-20-13-21-18/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyWWGQZUBMGLERMF-UHFFFAOYSA-N
XLogP2.25
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5309037) is N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is WWGQZUBMGLERMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-3-27-15-7-8-17(28-4-2)16(10-15)22-19(24)14-6-5-9-23(12-14)29(25,26)18-11-20-13-21-18/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5309037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).