[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

C24H25N3O5S — CID 38374216

IUPAC[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H25N3O5S/c1-17-14-20(25-23(29)19-8-5-13-31-19)33-22(17)24(30)32-16-21(28)27-11-9-26(10-12-27)15-18-6-3-2-4-7-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,29)
InChIKeyNOKXTCSXOIYFDA-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.40
Rot. Bonds7

About [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 38374216) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
PubChem CID38374216
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H25N3O5S/c1-17-14-20(25-23(29)19-8-5-13-31-19)33-22(17)24(30)32-16-21(28)27-11-9-26(10-12-27)15-18-6-3-2-4-7-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,29)
InChIKeyNOKXTCSXOIYFDA-UHFFFAOYSA-N
XLogP3.40
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate with MolForge

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Related Compounds

N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35799673
[2-oxo-2-(prop-2-enylamino)ethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 17404648
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55495739
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55521763
(4-aminoquinazolin-2-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 35783708
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 46679594
1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354056
2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248743
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909190
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 18158083
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55491378

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate (CID 38374216) is [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate is Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is NOKXTCSXOIYFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-17-14-20(25-23(29)19-8-5-13-31-19)33-22(17)24(30)32-16-21(28)27-11-9-26(10-12-27)15-18-6-3-2-4-7-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,29).
What are the key properties of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 467.55 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 38374216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).