2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide

C23H30N2O5S — CID 46809551

IUPAC2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O5S/c1-16-11-17(2)15-25(14-16)31(27,28)21-9-6-19(7-10-21)24-23(26)12-18-5-8-20(29-3)13-22(18)30-4/h5-10,13,16-17H,11-12,14-15H2,1-4H3,(H,24,26)
InChIKeyUSQUPCYBVNFEFO-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.55
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 46809551) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID46809551
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O5S/c1-16-11-17(2)15-25(14-16)31(27,28)21-9-6-19(7-10-21)24-23(26)12-18-5-8-20(29-3)13-22(18)30-4/h5-10,13,16-17H,11-12,14-15H2,1-4H3,(H,24,26)
InChIKeyUSQUPCYBVNFEFO-UHFFFAOYSA-N
XLogP3.55
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-methoxyphenyl)acetamide
CID 7987505
N-[(2,4-dimethoxyphenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 46590391
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 3529187
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide
CID 27528641
2-(2,4-dimethoxyphenyl)-N-[4-(methoxymethyl)phenyl]acetamide;ethane
CID 143433309
2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958223
2-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)acetamide
CID 9400826
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55364569
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 4557243
N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxy-3-nitrobenzamide
CID 41080620

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 46809551) is 2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is USQUPCYBVNFEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-16-11-17(2)15-25(14-16)31(27,28)21-9-6-19(7-10-21)24-23(26)12-18-5-8-20(29-3)13-22(18)30-4/h5-10,13,16-17H,11-12,14-15H2,1-4H3,(H,24,26).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 446.57 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 46809551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).