2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide

C23H30N2O4S — CID 108559999

IUPAC2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(C)c1
InChIInChI=1S/C23H30N2O4S/c1-16-6-8-21(19(4)13-16)29-15-23(26)24-20-9-11-25(12-10-20)30(27,28)22-14-17(2)5-7-18(22)3/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,24,26)
InChIKeyDPLNVQDWTDLTEW-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.27
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide

2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 108559999) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID108559999
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(C)c1
InChIInChI=1S/C23H30N2O4S/c1-16-6-8-21(19(4)13-16)29-15-23(26)24-20-9-11-25(12-10-20)30(27,28)22-14-17(2)5-7-18(22)3/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,24,26)
InChIKeyDPLNVQDWTDLTEW-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

N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560006
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559998
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108560906
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560004
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560021
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560027
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide (CID 108559999) is 2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide is Cc1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is DPLNVQDWTDLTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-16-6-8-21(19(4)13-16)29-15-23(26)24-20-9-11-25(12-10-20)30(27,28)22-14-17(2)5-7-18(22)3/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,24,26).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide?
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide 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 2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 108559999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).