N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide

C22H27N3O5S — CID 2688194

IUPACN-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C22H27N3O5S/c1-16-8-9-18(14-17(16)2)31(28,29)25-12-10-24(11-13-25)21(26)15-23-22(27)19-6-4-5-7-20(19)30-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)
InChIKeyWASHJQOTKGDJSL-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide

N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 2688194) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide
PubChem CID2688194
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C22H27N3O5S/c1-16-8-9-18(14-17(16)2)31(28,29)25-12-10-24(11-13-25)21(26)15-23-22(27)19-6-4-5-7-20(19)30-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)
InChIKeyWASHJQOTKGDJSL-UHFFFAOYSA-N
XLogP1.57
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide
CID 3876123
2-ethoxy-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 46651151
2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 43005431
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
N-[2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 108567929
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one
CID 17337708
2-ethoxy-N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 24552245
N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 55862646
2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571730
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 27510219
2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanoic acid
CID 2051859

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide (CID 2688194) is N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is WASHJQOTKGDJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-16-8-9-18(14-17(16)2)31(28,29)25-12-10-24(11-13-25)21(26)15-23-22(27)19-6-4-5-7-20(19)30-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,27).
What are the key properties of N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide?
N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 445.54 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 2688194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).