N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide

C15H21N3O4S — CID 51102257

IUPACN-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
SMILESCCS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C15H21N3O4S/c1-3-23(21,22)18-9-7-17(8-10-18)15(20)16-14-6-4-5-13(11-14)12(2)19/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)
InChIKeyPYPPWRKOHUWSOV-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.39
Rot. Bonds4

About N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide

N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide (PubChem CID 51102257) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
PubChem CID51102257
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
SMILESCCS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C15H21N3O4S/c1-3-23(21,22)18-9-7-17(8-10-18)15(20)16-14-6-4-5-13(11-14)12(2)19/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)
InChIKeyPYPPWRKOHUWSOV-UHFFFAOYSA-N
XLogP1.39
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103601
N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
CID 62734496
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 2985508
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
CID 55696947
N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 136571741
4-ethylsulfonyl-N-isoquinolin-6-ylpiperazine-1-carboxamide
CID 167832789
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
N-(4-chlorophenyl)-4-ethylsulfonyl-1,4-diazepane-1-carboxamide
CID 47812768
N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067
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CID 115647557

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide (CID 51102257) is N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide is CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide?
The InChIKey is PYPPWRKOHUWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-3-23(21,22)18-9-7-17(8-10-18)15(20)16-14-6-4-5-13(11-14)12(2)19/h4-6,11H,3,7-10H2,1-2H3,(H,16,20).
What are the key properties of N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide?
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 51102257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).