N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide

C22H28N2O6S — CID 108563446

IUPACN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H28N2O6S/c1-4-30-18-6-8-19(9-7-18)31(26,27)23-17-11-13-24(14-12-17)22(25)16-5-10-20(28-2)21(15-16)29-3/h5-10,15,17,23H,4,11-14H2,1-3H3
InChIKeyNIUHJXOUHJYMSG-UHFFFAOYSA-N
MW448.54 g/mol
LogP2.69
Rot. Bonds8

About N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide

N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide (PubChem CID 108563446) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
PubChem CID108563446
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H28N2O6S/c1-4-30-18-6-8-19(9-7-18)31(26,27)23-17-11-13-24(14-12-17)22(25)16-5-10-20(28-2)21(15-16)29-3/h5-10,15,17,23H,4,11-14H2,1-3H3
InChIKeyNIUHJXOUHJYMSG-UHFFFAOYSA-N
XLogP2.69
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564642
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34340171
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772
4-ethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566859
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 55445592
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108563476

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide (CID 108563446) is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is NIUHJXOUHJYMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-4-30-18-6-8-19(9-7-18)31(26,27)23-17-11-13-24(14-12-17)22(25)16-5-10-20(28-2)21(15-16)29-3/h5-10,15,17,23H,4,11-14H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide?
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 448.54 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 108563446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).