1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C24H25N3O6S — CID 55498214

IUPAC1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3occc3COc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O6S/c25-34(30,31)21-8-6-19(7-9-21)26-23(28)17-10-13-27(14-11-17)24(29)22-18(12-15-32-22)16-33-20-4-2-1-3-5-20/h1-9,12,15,17H,10-11,13-14,16H2,(H,26,28)(H2,25,30,31)
InChIKeyYIXDBSPZILJVJC-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.00
Rot. Bonds7

About 1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 55498214) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID55498214
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3occc3COc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O6S/c25-34(30,31)21-8-6-19(7-9-21)26-23(28)17-10-13-27(14-11-17)24(29)22-18(12-15-32-22)16-33-20-4-2-1-3-5-20/h1-9,12,15,17H,10-11,13-14,16H2,(H,26,28)(H2,25,30,31)
InChIKeyYIXDBSPZILJVJC-UHFFFAOYSA-N
XLogP3.00
TPSA131.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832889
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308368
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119486321
(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119663957
1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55395932
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377

Frequently Asked Questions

What is the IUPAC name of 1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 55498214) is 1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3occc3COc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is YIXDBSPZILJVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c25-34(30,31)21-8-6-19(7-9-21)26-23(28)17-10-13-27(14-11-17)24(29)22-18(12-15-32-22)16-33-20-4-2-1-3-5-20/h1-9,12,15,17H,10-11,13-14,16H2,(H,26,28)(H2,25,30,31).
What are the key properties of 1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55498214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).