N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide

C14H19N3O3S — CID 25161814

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C14H19N3O3S/c1-10-3-4-12(21-10)14(20)15-9-13(19)17-7-5-16(6-8-17)11(2)18/h3-4H,5-9H2,1-2H3,(H,15,20)
InChIKeyQFFTUCBDIIXEKJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.48
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 25161814) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID25161814
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C14H19N3O3S/c1-10-3-4-12(21-10)14(20)15-9-13(19)17-7-5-16(6-8-17)11(2)18/h3-4H,5-9H2,1-2H3,(H,15,20)
InChIKeyQFFTUCBDIIXEKJ-UHFFFAOYSA-N
XLogP0.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 25161814) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide is CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C)s2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is QFFTUCBDIIXEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-3-4-12(21-10)14(20)15-9-13(19)17-7-5-16(6-8-17)11(2)18/h3-4H,5-9H2,1-2H3,(H,15,20).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 25161814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).