N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide

C20H22N3O3S2+ — CID 8745758

IUPACN-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H21N3O3S2/c24-19(21-18-8-7-16-4-1-2-5-17(16)14-18)15-22-9-11-23(12-10-22)28(25,26)20-6-3-13-27-20/h1-8,13-14H,9-12,15H2,(H,21,24)/p+1
InChIKeyPGIZCEWVTROGDG-UHFFFAOYSA-O
MW416.55 g/mol
LogP1.43
Rot. Bonds5

About N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide

N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide (PubChem CID 8745758) has the molecular formula C20H22N3O3S2+ and a molecular weight of 416.55 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
PubChem CID8745758
Molecular FormulaC20H22N3O3S2+
Molecular Weight416.55 g/mol
Exact Mass416.11
IUPAC NameN-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H21N3O3S2/c24-19(21-18-8-7-16-4-1-2-5-17(16)14-18)15-22-9-11-23(12-10-22)28(25,26)20-6-3-13-27-20/h1-8,13-14H,9-12,15H2,(H,21,24)/p+1
InChIKeyPGIZCEWVTROGDG-UHFFFAOYSA-O
XLogP1.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655749
N-(3-chloro-4-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745682
N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745828
N-benzhydryl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655781
N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745941
N-(5-chloro-2-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2162492
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide
CID 2483117
N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745661
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
CID 2697461
N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3480604
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 11938400
N-(4-acetamidophenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide
CID 8743627

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide (CID 8745758) is N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide is O=C(C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is PGIZCEWVTROGDG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21N3O3S2/c24-19(21-18-8-7-16-4-1-2-5-17(16)14-18)15-22-9-11-23(12-10-22)28(25,26)20-6-3-13-27-20/h1-8,13-14H,9-12,15H2,(H,21,24)/p+1.
What are the key properties of N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 416.55 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8745758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).