N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide

C23H30N2O4S — CID 108564246

IUPACN-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O4S/c1-16-5-8-22(19(4)13-16)29-15-23(26)25-11-9-20(10-12-25)24-30(27,28)21-7-6-17(2)18(3)14-21/h5-8,13-14,20,24H,9-12,15H2,1-4H3
InChIKeyWWODHKHEYOOKLL-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.27
Rot. Bonds6

About N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide

N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 108564246) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID108564246
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O4S/c1-16-5-8-22(19(4)13-16)29-15-23(26)25-11-9-20(10-12-25)24-30(27,28)21-7-6-17(2)18(3)14-21/h5-8,13-14,20,24H,9-12,15H2,1-4H3
InChIKeyWWODHKHEYOOKLL-UHFFFAOYSA-N
XLogP3.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108564277
4-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565225
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
1-[2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide
CID 3897663
2-(2,4-dimethylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60956652
1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenoxy)ethanone;hydrochloride
CID 119375533
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566445
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide (CID 108564246) is N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1.
What is the InChIKey of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is WWODHKHEYOOKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-16-5-8-22(19(4)13-16)29-15-23(26)25-11-9-20(10-12-25)24-30(27,28)21-7-6-17(2)18(3)14-21/h5-8,13-14,20,24H,9-12,15H2,1-4H3.
What are the key properties of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide?
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 108564246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).