N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide

C21H28N4O5S — CID 38719587

IUPACN,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1
InChIInChI=1S/C21H28N4O5S/c1-3-23(4-2)21(27)25-13-11-24(12-14-25)20(26)17-7-9-19(10-8-17)31(28,29)22-16-18-6-5-15-30-18/h5-10,15,22H,3-4,11-14,16H2,1-2H3
InChIKeyFUULWUQGOPXJHO-UHFFFAOYSA-N
MW448.55 g/mol
LogP1.98
Rot. Bonds7

About N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide

N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide (PubChem CID 38719587) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide
PubChem CID38719587
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC NameN,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1
InChIInChI=1S/C21H28N4O5S/c1-3-23(4-2)21(27)25-13-11-24(12-14-25)20(26)17-7-9-19(10-8-17)31(28,29)22-16-18-6-5-15-30-18/h5-10,15,22H,3-4,11-14,16H2,1-2H3
InChIKeyFUULWUQGOPXJHO-UHFFFAOYSA-N
XLogP1.98
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360
N-ethyl-N-(2-ethylbutyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 39482925
N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25489711
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765852
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663364
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216622
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide (CID 38719587) is N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide?
The InChIKey is FUULWUQGOPXJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-3-23(4-2)21(27)25-13-11-24(12-14-25)20(26)17-7-9-19(10-8-17)31(28,29)22-16-18-6-5-15-30-18/h5-10,15,22H,3-4,11-14,16H2,1-2H3.
What are the key properties of N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide?
N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 38719587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).