N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide

C28H32N2O5S — CID 51343527

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C28H32N2O5S/c1-34-26-14-13-24(20-27(26)35-2)30(36(32,33)25-11-7-4-8-12-25)21-28(31)29-17-15-23(16-18-29)19-22-9-5-3-6-10-22/h3-14,20,23H,15-19,21H2,1-2H3
InChIKeyOXYMFHSHGNKMRY-UHFFFAOYSA-N
MW508.64 g/mol
LogP4.38
Rot. Bonds9

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide (PubChem CID 51343527) has the molecular formula C28H32N2O5S and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
PubChem CID51343527
Molecular FormulaC28H32N2O5S
Molecular Weight508.64 g/mol
Exact Mass508.20
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C28H32N2O5S/c1-34-26-14-13-24(20-27(26)35-2)30(36(32,33)25-11-7-4-8-12-25)21-28(31)29-17-15-23(16-18-29)19-22-9-5-3-6-10-22/h3-14,20,23H,15-19,21H2,1-2H3
InChIKeyOXYMFHSHGNKMRY-UHFFFAOYSA-N
XLogP4.38
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)benzenesulfonamide
CID 51343508
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)methanesulfonamide
CID 51342943
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
CID 126178030
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 51343487
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
CID 43891625
N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1108098
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 51343685
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1239009
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-difluorophenyl)methanesulfonamide
CID 6500027
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 51343926
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 1001103

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide (CID 51343527) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide is COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is OXYMFHSHGNKMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5S/c1-34-26-14-13-24(20-27(26)35-2)30(36(32,33)25-11-7-4-8-12-25)21-28(31)29-17-15-23(16-18-29)19-22-9-5-3-6-10-22/h3-14,20,23H,15-19,21H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 508.64 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 51343527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).