3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide

C23H30N2O5S — CID 53103804

IUPAC3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C23H30N2O5S/c1-17-4-6-19(7-5-17)23(26)25-14-11-18(12-15-25)10-13-24-31(27,28)20-8-9-21(29-2)22(16-20)30-3/h4-9,16,18,24H,10-15H2,1-3H3
InChIKeyIWUODBUHHCHOSH-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.23
Rot. Bonds8

About 3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide

3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide (PubChem CID 53103804) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
PubChem CID53103804
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C23H30N2O5S/c1-17-4-6-19(7-5-17)23(26)25-14-11-18(12-15-25)10-13-24-31(27,28)20-8-9-21(29-2)22(16-20)30-3/h4-9,16,18,24H,10-15H2,1-3H3
InChIKeyIWUODBUHHCHOSH-UHFFFAOYSA-N
XLogP3.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103803
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 53103863
4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103802
2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103824
3,4-dimethoxy-N-[3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46669645
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53103758
3,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzamide
CID 46378959
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
CID 53103840
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide (CID 53103804) is 3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The InChIKey is IWUODBUHHCHOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-17-4-6-19(7-5-17)23(26)25-14-11-18(12-15-25)10-13-24-31(27,28)20-8-9-21(29-2)22(16-20)30-3/h4-9,16,18,24H,10-15H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide has a molecular weight of 446.57 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53103804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).