N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide

C25H28N2O4S — CID 4883752

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H28N2O4S/c28-25(26-15-13-22(14-16-26)18-21-8-3-1-4-9-21)20-27(19-23-10-7-17-31-23)32(29,30)24-11-5-2-6-12-24/h1-12,17,22H,13-16,18-20H2
InChIKeySXEKRKXXIWLJKU-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.95
Rot. Bonds8

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 4883752) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID4883752
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H28N2O4S/c28-25(26-15-13-22(14-16-26)18-21-8-3-1-4-9-21)20-27(19-23-10-7-17-31-23)32(29,30)24-11-5-2-6-12-24/h1-12,17,22H,13-16,18-20H2
InChIKeySXEKRKXXIWLJKU-UHFFFAOYSA-N
XLogP3.95
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 126009765
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 2925753
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
CID 126178030
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
4-ethoxy-N-(furan-2-ylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 29282469
N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2428178
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide
CID 42703534
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 126010590

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide (CID 4883752) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide is O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is SXEKRKXXIWLJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c28-25(26-15-13-22(14-16-26)18-21-8-3-1-4-9-21)20-27(19-23-10-7-17-31-23)32(29,30)24-11-5-2-6-12-24/h1-12,17,22H,13-16,18-20H2.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 4883752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).