6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide

C18H21N5O7S — CID 155242387

IUPAC6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
SMILESCCOC1CCN(c2nonc2NS(=O)(=O)c2ccc3cc(C(=O)NO)oc3c2)CC1
InChIInChI=1S/C18H21N5O7S/c1-2-28-12-5-7-23(8-6-12)17-16(20-30-21-17)22-31(26,27)13-4-3-11-9-15(18(24)19-25)29-14(11)10-13/h3-4,9-10,12,25H,2,5-8H2,1H3,(H,19,24)(H,20,22)
InChIKeyHZROFWPIMASVLW-UHFFFAOYSA-N
MW451.46 g/mol
LogP1.74
Rot. Bonds7

About 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide

6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide (PubChem CID 155242387) has the molecular formula C18H21N5O7S and a molecular weight of 451.46 g/mol. Its IUPAC name is 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
PubChem CID155242387
Molecular FormulaC18H21N5O7S
Molecular Weight451.46 g/mol
Exact Mass451.12
IUPAC Name6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
SMILESCCOC1CCN(c2nonc2NS(=O)(=O)c2ccc3cc(C(=O)NO)oc3c2)CC1
InChIInChI=1S/C18H21N5O7S/c1-2-28-12-5-7-23(8-6-12)17-16(20-30-21-17)22-31(26,27)13-4-3-11-9-15(18(24)19-25)29-14(11)10-13/h3-4,9-10,12,25H,2,5-8H2,1H3,(H,19,24)(H,20,22)
InChIKeyHZROFWPIMASVLW-UHFFFAOYSA-N
XLogP1.74
TPSA160.03 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-hydroxy-6-[[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxamide
CID 155233680
6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155233704
N-hydroxy-6-[(2-piperidin-4-yloxy-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxamide
CID 155242385
6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155233706
ethyl 6-[[2-(4-benzylpiperazin-1-yl)-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 155233690
6-[[5-chloro-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155242672
ethyl 6-[[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 155242455
6-(4-ethoxypiperidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80987233
3-[6-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]sulfamoyl]-1-benzofuran-2-yl]propanoic acid
CID 155233708
5-amino-2-(4-ethoxypiperidin-1-yl)pyridine-3-carboxamide
CID 61360162
4-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219591
N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide
CID 91950569

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The IUPAC name of 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide (CID 155242387) is 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide is CCOC1CCN(c2nonc2NS(=O)(=O)c2ccc3cc(C(=O)NO)oc3c2)CC1.
What is the InChIKey of 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
The InChIKey is HZROFWPIMASVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O7S/c1-2-28-12-5-7-23(8-6-12)17-16(20-30-21-17)22-31(26,27)13-4-3-11-9-15(18(24)19-25)29-14(11)10-13/h3-4,9-10,12,25H,2,5-8H2,1H3,(H,19,24)(H,20,22).
What are the key properties of 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide?
6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide has a molecular weight of 451.46 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-ethoxypiperidin-1-yl)-1,2,5-oxadiazol-3-yl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155242387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).