N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide

C15H23N3O4S — CID 110611252

IUPACN-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCN(CC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H23N3O4S/c1-3-16-23(20,21)18-10-8-17(9-11-18)12-15(19)13-4-6-14(22-2)7-5-13/h4-7,16H,3,8-12H2,1-2H3
InChIKeyXXOTXYGHUUKEOX-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.35
Rot. Bonds7

About N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide

N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide (PubChem CID 110611252) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide
PubChem CID110611252
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCN(CC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H23N3O4S/c1-3-16-23(20,21)18-10-8-17(9-11-18)12-15(19)13-4-6-14(22-2)7-5-13/h4-7,16H,3,8-12H2,1-2H3
InChIKeyXXOTXYGHUUKEOX-UHFFFAOYSA-N
XLogP0.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63633759
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 112626490
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 103535688
N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
CID 8687545

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide?
The IUPAC name of N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide (CID 110611252) is N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide is CCNS(=O)(=O)N1CCN(CC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide?
The InChIKey is XXOTXYGHUUKEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-16-23(20,21)18-10-8-17(9-11-18)12-15(19)13-4-6-14(22-2)7-5-13/h4-7,16H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide?
N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 110611252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).