N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide

C20H26N4O4S — CID 8692331

IUPACN-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H26N4O4S/c1-2-21-19(25)14-22-20(26)15-23-9-11-24(12-10-23)29(27,28)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13H,2,9-12,14-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyLGIFXTRGXRAFDT-UHFFFAOYSA-N
MW418.52 g/mol
LogP0.40
Rot. Bonds7

About N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide

N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide (PubChem CID 8692331) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
PubChem CID8692331
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H26N4O4S/c1-2-21-19(25)14-22-20(26)15-23-9-11-24(12-10-23)29(27,28)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13H,2,9-12,14-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyLGIFXTRGXRAFDT-UHFFFAOYSA-N
XLogP0.40
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide with MolForge

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Related Compounds

N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
CID 8687545
N-(methylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8743046
3-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzenesulfonyl fluoride
CID 166407090
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
1-(2-methylprop-2-enyl)-4-naphthalen-2-ylsulfonylpiperazine
CID 8692259
N-[1-(4-methylphenyl)propyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 71903024
2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide
CID 8687525
N-ethyl-2-[4-(3-fluoro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 60539728
N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 37307613
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 129376552
N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide
CID 3150874

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide (CID 8692331) is N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide is CCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide?
The InChIKey is LGIFXTRGXRAFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-2-21-19(25)14-22-20(26)15-23-9-11-24(12-10-23)29(27,28)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13H,2,9-12,14-15H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide?
N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide has a molecular weight of 418.52 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 8692331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).