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

C23H30N2O4S — CID 108559998

IUPAC2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-19-6-8-21(9-7-19)30(27,28)25-13-11-20(12-14-25)24-23(26)16-29-22-10-5-17(2)15-18(22)3/h5-10,15,20H,4,11-14,16H2,1-3H3,(H,24,26)
InChIKeySYFGKADPEGUTAQ-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.21
Rot. Bonds7

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

2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 108559998) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID108559998
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-19-6-8-21(9-7-19)30(27,28)25-13-11-20(12-14-25)24-23(26)16-29-22-10-5-17(2)15-18(22)3/h5-10,15,20H,4,11-14,16H2,1-3H3,(H,24,26)
InChIKeySYFGKADPEGUTAQ-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.21
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-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108560767
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560004
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide
CID 108560702
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559133
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560027
[4-[4-[4-(2,5-dimethylphenoxy)butanoylamino]piperidin-1-yl]sulfonylphenyl]methanesulfinic acid
CID 174927251
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108560906
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide (CID 108559998) is 2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide is CCc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is SYFGKADPEGUTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-19-6-8-21(9-7-19)30(27,28)25-13-11-20(12-14-25)24-23(26)16-29-22-10-5-17(2)15-18(22)3/h5-10,15,20H,4,11-14,16H2,1-3H3,(H,24,26).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide?
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 430.57 g/mol, XLogP of 3.21, 7 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-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 108559998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).