N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide

C20H28N2O3S — CID 126813477

IUPACN-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide
SMILESCCc1ccc(-c2ccc(CN3CCC(NS(=O)(=O)CC)CC3)o2)cc1
InChIInChI=1S/C20H28N2O3S/c1-3-16-5-7-17(8-6-16)20-10-9-19(25-20)15-22-13-11-18(12-14-22)21-26(23,24)4-2/h5-10,18,21H,3-4,11-15H2,1-2H3
InChIKeyOOQCJTPICOWNBC-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.41
Rot. Bonds7

About N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide

N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 126813477) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide
PubChem CID126813477
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide
SMILESCCc1ccc(-c2ccc(CN3CCC(NS(=O)(=O)CC)CC3)o2)cc1
InChIInChI=1S/C20H28N2O3S/c1-3-16-5-7-17(8-6-16)20-10-9-19(25-20)15-22-13-11-18(12-14-22)21-26(23,24)4-2/h5-10,18,21H,3-4,11-15H2,1-2H3
InChIKeyOOQCJTPICOWNBC-UHFFFAOYSA-N
XLogP3.41
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide
CID 126801570
1-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 122035756
2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042886
1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159324
[5-(4-ethylphenyl)furan-2-yl]methanol
CID 60894732
1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
CID 58788218
N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]ethanesulfonamide
CID 167850485
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63032039
N-[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanesulfonamide
CID 167821274
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 63596044
1-[(5-methylfuran-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62524387

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide (CID 126813477) is N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide is CCc1ccc(-c2ccc(CN3CCC(NS(=O)(=O)CC)CC3)o2)cc1.
What is the InChIKey of N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is OOQCJTPICOWNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-3-16-5-7-17(8-6-16)20-10-9-19(25-20)15-22-13-11-18(12-14-22)21-26(23,24)4-2/h5-10,18,21H,3-4,11-15H2,1-2H3.
What are the key properties of N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide?
N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(4-ethylphenyl)furan-2-yl]methyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 126813477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).