2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C22H25N5O6S — CID 55480300

IUPAC2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)CC2)no1
InChIInChI=1S/C22H25N5O6S/c1-16-12-20(25-33-16)24-21(28)15-26-7-9-27(10-8-26)22(29)17-4-2-6-19(13-17)34(30,31)23-14-18-5-3-11-32-18/h2-6,11-13,23H,7-10,14-15H2,1H3,(H,24,25,28)
InChIKeyLBQHOAYHHPJTFD-UHFFFAOYSA-N
MW487.54 g/mol
LogP1.45
Rot. Bonds8

About 2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 55480300) has the molecular formula C22H25N5O6S and a molecular weight of 487.54 g/mol. Its IUPAC name is 2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID55480300
Molecular FormulaC22H25N5O6S
Molecular Weight487.54 g/mol
Exact Mass487.15
IUPAC Name2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)CC2)no1
InChIInChI=1S/C22H25N5O6S/c1-16-12-20(25-33-16)24-21(28)15-26-7-9-27(10-8-26)22(29)17-4-2-6-19(13-17)34(30,31)23-14-18-5-3-11-32-18/h2-6,11-13,23H,7-10,14-15H2,1H3,(H,24,25,28)
InChIKeyLBQHOAYHHPJTFD-UHFFFAOYSA-N
XLogP1.45
TPSA137.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25489711
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26590679
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 109064428
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide
CID 99803055
2-(furan-2-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9466798
N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227342
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 109064448
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 24608511

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 55480300) is 2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)CC2)no1.
What is the InChIKey of 2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LBQHOAYHHPJTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O6S/c1-16-12-20(25-33-16)24-21(28)15-26-7-9-27(10-8-26)22(29)17-4-2-6-19(13-17)34(30,31)23-14-18-5-3-11-32-18/h2-6,11-13,23H,7-10,14-15H2,1H3,(H,24,25,28).
What are the key properties of 2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 487.54 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 55480300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).