N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide

C15H23N3O3S — CID 113078258

IUPACN-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide
SMILESCCCS(=O)(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C15H23N3O3S/c1-3-11-22(20,21)18-9-7-17(8-10-18)15-6-4-5-14(12-15)16-13(2)19/h4-6,12H,3,7-11H2,1-2H3,(H,16,19)
InChIKeyXWSLEFAPCAUGPC-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide

N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide (PubChem CID 113078258) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide
PubChem CID113078258
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide
SMILESCCCS(=O)(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C15H23N3O3S/c1-3-11-22(20,21)18-9-7-17(8-10-18)15-6-4-5-14(12-15)16-13(2)19/h4-6,12H,3,7-11H2,1-2H3,(H,16,19)
InChIKeyXWSLEFAPCAUGPC-UHFFFAOYSA-N
XLogP1.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-4-propylsulfonylpiperazine
CID 113079446
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 110368214
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
4-(4-propylsulfonylpiperazin-1-yl)phenol
CID 2422978
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
1-hexylsulfonyl-4-(3-methylphenyl)piperazine
CID 166955658
N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide
CID 142930531
1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine
CID 113076966
N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078217
N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 113078225

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide (CID 113078258) is N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide is CCCS(=O)(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is XWSLEFAPCAUGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-11-22(20,21)18-9-7-17(8-10-18)15-6-4-5-14(12-15)16-13(2)19/h4-6,12H,3,7-11H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide?
N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 113078258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).