N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide

C19H25N3O4S — CID 120740627

IUPACN-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(CNS(C)(=O)=O)o2)cc1
InChIInChI=1S/C19H25N3O4S/c1-3-14-4-6-15(7-5-14)17-13-20-10-11-22(17)19(23)18-9-8-16(26-18)12-21-27(2,24)25/h4-9,17,20-21H,3,10-13H2,1-2H3
InChIKeyGSYJEQUEPXZKDL-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.68
Rot. Bonds6

About N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide

N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide (PubChem CID 120740627) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
PubChem CID120740627
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(CNS(C)(=O)=O)o2)cc1
InChIInChI=1S/C19H25N3O4S/c1-3-14-4-6-15(7-5-14)17-13-20-10-11-22(17)19(23)18-9-8-16(26-18)12-21-27(2,24)25/h4-9,17,20-21H,3,10-13H2,1-2H3
InChIKeyGSYJEQUEPXZKDL-UHFFFAOYSA-N
XLogP1.68
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120741554
N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide
CID 120569904
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
CID 120740299
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
CID 120740764
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 120740222

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide (CID 120740627) is N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide is CCc1ccc(C2CNCCN2C(=O)c2ccc(CNS(C)(=O)=O)o2)cc1.
What is the InChIKey of N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide?
The InChIKey is GSYJEQUEPXZKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-14-4-6-15(7-5-14)17-13-20-10-11-22(17)19(23)18-9-8-16(26-18)12-21-27(2,24)25/h4-9,17,20-21H,3,10-13H2,1-2H3.
What are the key properties of N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide?
N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 120740627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).