N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

C19H26N4O5S — CID 3238282

IUPACN-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1
InChIInChI=1S/C19H26N4O5S/c1-3-27-15-5-6-17(28-4-2)16(11-15)22-19(24)14-7-9-23(10-8-14)29(25,26)18-12-20-13-21-18/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyXDMBATGQMFGDAQ-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.25
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 3238282) 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-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID3238282
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC NameN-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1
InChIInChI=1S/C19H26N4O5S/c1-3-27-15-5-6-17(28-4-2)16(11-15)22-19(24)14-7-9-23(10-8-14)29(25,26)18-12-20-13-21-18/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyXDMBATGQMFGDAQ-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-4-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (CID 3238282) is N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is XDMBATGQMFGDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-3-27-15-5-6-17(28-4-2)16(11-15)22-19(24)14-7-9-23(10-8-14)29(25,26)18-12-20-13-21-18/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
N-(2,5-diethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 3238282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).