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

C17H19N4O3S2+ — CID 8745828

IUPACN-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H18N4O3S2/c18-12-14-3-5-15(6-4-14)19-16(22)13-20-7-9-21(10-8-20)26(23,24)17-2-1-11-25-17/h1-6,11H,7-10,13H2,(H,19,22)/p+1
InChIKeyCAKNHMUYQPGLFH-UHFFFAOYSA-O
MW391.50 g/mol
LogP0.15
Rot. Bonds5

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

N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide (PubChem CID 8745828) has the molecular formula C17H19N4O3S2+ and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
PubChem CID8745828
Molecular FormulaC17H19N4O3S2+
Molecular Weight391.50 g/mol
Exact Mass391.09
IUPAC NameN-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H18N4O3S2/c18-12-14-3-5-15(6-4-14)19-16(22)13-20-7-9-21(10-8-20)26(23,24)17-2-1-11-25-17/h1-6,11H,7-10,13H2,(H,19,22)/p+1
InChIKeyCAKNHMUYQPGLFH-UHFFFAOYSA-O
XLogP0.15
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745941
N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745758
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
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
CID 9391502
N-benzhydryl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655781
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
CID 8528279
N-(5-chloro-2-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2162492
N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745661
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
N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9259749

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide (CID 8745828) is N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide is N#Cc1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is CAKNHMUYQPGLFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N4O3S2/c18-12-14-3-5-15(6-4-14)19-16(22)13-20-7-9-21(10-8-20)26(23,24)17-2-1-11-25-17/h1-6,11H,7-10,13H2,(H,19,22)/p+1.
What are the key properties of N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 391.50 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8745828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).