2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide

C22H27N3O5S — CID 145307970

IUPAC2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCOc1ccc(-c2ccc(CC(=O)NCC(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-30-20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-21(26)23-16-22(27)24-11-13-25(14-12-24)31(2,28)29/h3-10H,11-16H2,1-2H3,(H,23,26)
InChIKeyPUDGFFNXXBEOFD-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.12
Rot. Bonds7

About 2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide

2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 145307970) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID145307970
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCOc1ccc(-c2ccc(CC(=O)NCC(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-30-20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-21(26)23-16-22(27)24-11-13-25(14-12-24)31(2,28)29/h3-10H,11-16H2,1-2H3,(H,23,26)
InChIKeyPUDGFFNXXBEOFD-UHFFFAOYSA-N
XLogP1.12
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996020
2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994410
1-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110346697
1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-(4-propan-2-yloxyphenyl)ethanone
CID 110809986
N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 24550797
2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31686501
2-(4-methoxyphenyl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24686573
2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 1429409
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
tert-butyl N-[2-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108543093
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 145307970) is 2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide is COc1ccc(-c2ccc(CC(=O)NCC(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is PUDGFFNXXBEOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-30-20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-21(26)23-16-22(27)24-11-13-25(14-12-24)31(2,28)29/h3-10H,11-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide?
2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 145307970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).