N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide

C15H17N4O3S3+ — CID 8745941

IUPACN-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H16N4O3S3/c16-10-12-3-9-24-15(12)17-13(20)11-18-4-6-19(7-5-18)25(21,22)14-2-1-8-23-14/h1-3,8-9H,4-7,11H2,(H,17,20)/p+1
InChIKeyZOGKYFHUIOMWMF-UHFFFAOYSA-O
MW397.53 g/mol
LogP0.21
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide

N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide (PubChem CID 8745941) has the molecular formula C15H17N4O3S3+ and a molecular weight of 397.53 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
PubChem CID8745941
Molecular FormulaC15H17N4O3S3+
Molecular Weight397.53 g/mol
Exact Mass397.05
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H16N4O3S3/c16-10-12-3-9-24-15(12)17-13(20)11-18-4-6-19(7-5-18)25(21,22)14-2-1-8-23-14/h1-3,8-9H,4-7,11H2,(H,17,20)/p+1
InChIKeyZOGKYFHUIOMWMF-UHFFFAOYSA-O
XLogP0.21
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745828
N-(3-cyanothiophen-2-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide
CID 2397612
N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2508369
N-(3,4-dimethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655749
N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745758
N-benzhydryl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655781
N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2402942
N-(3-chloro-4-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745682
N-(5-chloro-2-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2162492
2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide
CID 9450347
N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2406609
N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745661

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide (CID 8745941) is N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide is N#Cc1ccsc1NC(=O)C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is ZOGKYFHUIOMWMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N4O3S3/c16-10-12-3-9-24-15(12)17-13(20)11-18-4-6-19(7-5-18)25(21,22)14-2-1-8-23-14/h1-3,8-9H,4-7,11H2,(H,17,20)/p+1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 397.53 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8745941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).