4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide

C23H29N3O5S — CID 55403236

IUPAC4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)COc3ccc(C(N)=O)cc3)CC2)c1C
InChIInChI=1S/C23H29N3O5S/c1-15-13-16(2)18(4)22(17(15)3)32(29,30)26-11-9-25(10-12-26)21(27)14-31-20-7-5-19(6-8-20)23(24)28/h5-8,13H,9-12,14H2,1-4H3,(H2,24,28)
InChIKeyODPIINLKBSCKOW-UHFFFAOYSA-N
MW459.57 g/mol
LogP1.93
Rot. Bonds6

About 4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide

4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide (PubChem CID 55403236) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide
PubChem CID55403236
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)COc3ccc(C(N)=O)cc3)CC2)c1C
InChIInChI=1S/C23H29N3O5S/c1-15-13-16(2)18(4)22(17(15)3)32(29,30)26-11-9-25(10-12-26)21(27)14-31-20-7-5-19(6-8-20)23(24)28/h5-8,13H,9-12,14H2,1-4H3,(H2,24,28)
InChIKeyODPIINLKBSCKOW-UHFFFAOYSA-N
XLogP1.93
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 7931291
4-[2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzamide
CID 55403081
4-[2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzamide
CID 55403268
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 71904260
[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl] 2-ethoxyacetate
CID 9289619
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674216
(3,4-diethoxyphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674291
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46482939
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 18287130

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide (CID 55403236) is 4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)COc3ccc(C(N)=O)cc3)CC2)c1C.
What is the InChIKey of 4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide?
The InChIKey is ODPIINLKBSCKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-15-13-16(2)18(4)22(17(15)3)32(29,30)26-11-9-25(10-12-26)21(27)14-31-20-7-5-19(6-8-20)23(24)28/h5-8,13H,9-12,14H2,1-4H3,(H2,24,28).
What are the key properties of 4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide?
4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide has a molecular weight of 459.57 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide is sourced from PubChem (CID 55403236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).