N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide

C15H20N4O2S — CID 126390030

IUPACN-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)CN2CCN(C)CC2)c(C#N)c1C
InChIInChI=1S/C15H20N4O2S/c1-10-12(8-16)15(22-14(10)11(2)20)17-13(21)9-19-6-4-18(3)5-7-19/h4-7,9H2,1-3H3,(H,17,21)
InChIKeyMDHROLOUQBKCIJ-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.32
Rot. Bonds4

About N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide

N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 126390030) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID126390030
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)CN2CCN(C)CC2)c(C#N)c1C
InChIInChI=1S/C15H20N4O2S/c1-10-12(8-16)15(22-14(10)11(2)20)17-13(21)9-19-6-4-18(3)5-7-19/h4-7,9H2,1-3H3,(H,17,21)
InChIKeyMDHROLOUQBKCIJ-UHFFFAOYSA-N
XLogP1.32
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 43556496
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410985
N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-4-methylbenzamide
CID 126064797
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 66291710
(E)-N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)but-2-enamide
CID 71670119
N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 2231176
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
CID 655573
2-(4-acetylpiperazin-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 2697586
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371217
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872199
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 86911173
N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide
CID 4609681

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide (CID 126390030) is N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide is CC(=O)c1sc(NC(=O)CN2CCN(C)CC2)c(C#N)c1C.
What is the InChIKey of N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is MDHROLOUQBKCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-12(8-16)15(22-14(10)11(2)20)17-13(21)9-19-6-4-18(3)5-7-19/h4-7,9H2,1-3H3,(H,17,21).
What are the key properties of N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 126390030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).