3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide

C18H29N3O4S — CID 43918902

IUPAC3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide
SMILESCCS(=O)(=O)N1CCN(Cc2cccc(C(=O)NCCCOC)c2)CC1
InChIInChI=1S/C18H29N3O4S/c1-3-26(23,24)21-11-9-20(10-12-21)15-16-6-4-7-17(14-16)18(22)19-8-5-13-25-2/h4,6-7,14H,3,5,8-13,15H2,1-2H3,(H,19,22)
InChIKeyRJEFFVTUAMOKBH-UHFFFAOYSA-N
MW383.51 g/mol
LogP0.92
Rot. Bonds9

About 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide

3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide (PubChem CID 43918902) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide
PubChem CID43918902
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide
SMILESCCS(=O)(=O)N1CCN(Cc2cccc(C(=O)NCCCOC)c2)CC1
InChIInChI=1S/C18H29N3O4S/c1-3-26(23,24)21-11-9-20(10-12-21)15-16-6-4-7-17(14-16)18(22)19-8-5-13-25-2/h4,6-7,14H,3,5,8-13,15H2,1-2H3,(H,19,22)
InChIKeyRJEFFVTUAMOKBH-UHFFFAOYSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 43924519
N-(3-methoxypropyl)-2-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzamide
CID 43925538
N-(3-ethoxypropyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43923977
N-butan-2-yl-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918442
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 43921245
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 43924692
N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919553
N-(5-chloro-2-methoxyphenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921508
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
CID 16881055
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925854
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
N-(3-imidazol-1-ylpropyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38103746

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide (CID 43918902) is 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide is CCS(=O)(=O)N1CCN(Cc2cccc(C(=O)NCCCOC)c2)CC1.
What is the InChIKey of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide?
The InChIKey is RJEFFVTUAMOKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-3-26(23,24)21-11-9-20(10-12-21)15-16-6-4-7-17(14-16)18(22)19-8-5-13-25-2/h4,6-7,14H,3,5,8-13,15H2,1-2H3,(H,19,22).
What are the key properties of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide?
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 383.51 g/mol, XLogP of 0.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 43918902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).