2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one

C21H16N2O5S — CID 3239573

IUPAC2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1
InChIInChI=1S/C21H16N2O5S/c24-19(16-6-3-11-27-16)22-7-9-23(10-8-22)20(25)17-12-14-18(29-17)13-4-1-2-5-15(13)28-21(14)26/h1-6,11-12H,7-10H2
InChIKeyYFEVMOCFLOPQRA-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.20
Rot. Bonds2

About 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one

2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one (PubChem CID 3239573) has the molecular formula C21H16N2O5S and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one
PubChem CID3239573
Molecular FormulaC21H16N2O5S
Molecular Weight408.44 g/mol
Exact Mass408.08
IUPAC Name2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1
InChIInChI=1S/C21H16N2O5S/c24-19(16-6-3-11-27-16)22-7-9-23(10-8-22)20(25)17-12-14-18(29-17)13-4-1-2-5-15(13)28-21(14)26/h1-6,11-12H,7-10H2
InChIKeyYFEVMOCFLOPQRA-UHFFFAOYSA-N
XLogP3.20
TPSA83.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-Methyl-2-(4-methylpiperazine-1-carbonyl)-4H-thieno[3,2-C]chromen-4-one
CID 16193771
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 2416606
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
CID 2434436
Furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2496667
1-Benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2550616
1-(2-Furoyl)-4-[phenyl(phenylthio)acetyl]piperazine
CID 2963273
N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide
CID 3242212
N-(2-(4-(4-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-oxoethyl)-N-isobutylfuran-2-carboxamide
CID 4239464
N,N-diethyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 5177888
2-(4-ethylpiperazine-1-carbonyl)-8-methyl-4H-thieno[3,2-c]chromen-4-one
CID 5307947
5-Ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
CID 5308590
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 6603526

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one (CID 3239573) is 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one is O=C(c1ccco1)N1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one?
The InChIKey is YFEVMOCFLOPQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5S/c24-19(16-6-3-11-27-16)22-7-9-23(10-8-22)20(25)17-12-14-18(29-17)13-4-1-2-5-15(13)28-21(14)26/h1-6,11-12H,7-10H2.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one?
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one has a molecular weight of 408.44 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]chromen-4-one is sourced from PubChem (CID 3239573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).