N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide

C14H21N3O3S — CID 60850903

IUPACN-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)CN1CCNCC1
InChIInChI=1S/C14H21N3O3S/c1-2-21(19,20)13-6-4-3-5-12(13)16-14(18)11-17-9-7-15-8-10-17/h3-6,15H,2,7-11H2,1H3,(H,16,18)
InChIKeyNAVGFXNNPPSLAQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.32
Rot. Bonds5

About N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide

N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide (PubChem CID 60850903) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide
PubChem CID60850903
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)CN1CCNCC1
InChIInChI=1S/C14H21N3O3S/c1-2-21(19,20)13-6-4-3-5-12(13)16-14(18)11-17-9-7-15-8-10-17/h3-6,15H,2,7-11H2,1H3,(H,16,18)
InChIKeyNAVGFXNNPPSLAQ-UHFFFAOYSA-N
XLogP0.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
methyl 2-methyl-3-[(2-piperazin-1-ylacetyl)amino]benzoate
CID 60850740
2-piperazin-1-yl-N-(2-thiophen-2-ylphenyl)acetamide
CID 60850013
N-[2-(dimethylamino)-3-pyridinyl]-2-piperazin-1-ylacetamide
CID 60850191
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide
CID 62837195
N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79287541
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120982304
N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
CID 60710101
N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide
CID 54928472
4-fluoro-2-[(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61157931
N-(2-ethylsulfonylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55872759

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide (CID 60850903) is N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide is CCS(=O)(=O)c1ccccc1NC(=O)CN1CCNCC1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is NAVGFXNNPPSLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-21(19,20)13-6-4-3-5-12(13)16-14(18)11-17-9-7-15-8-10-17/h3-6,15H,2,7-11H2,1H3,(H,16,18).
What are the key properties of N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide?
N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 311.41 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60850903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).