furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone

C25H22N2O4S — CID 19498934

IUPACfuran-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(COc3ccc4ccccc4c3)cs2)CC1
InChIInChI=1S/C25H22N2O4S/c28-24(22-6-3-13-30-22)26-9-11-27(12-10-26)25(29)23-14-18(17-32-23)16-31-21-8-7-19-4-1-2-5-20(19)15-21/h1-8,13-15,17H,9-12,16H2
InChIKeyJGMZGKHCMXVMHV-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.67
Rot. Bonds5

About furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 19498934) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone
PubChem CID19498934
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC Namefuran-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cc(COc3ccc4ccccc4c3)cs2)CC1
InChIInChI=1S/C25H22N2O4S/c28-24(22-6-3-13-30-22)26-9-11-27(12-10-26)25(29)23-14-18(17-32-23)16-31-21-8-7-19-4-1-2-5-20(19)15-21/h1-8,13-15,17H,9-12,16H2
InChIKeyJGMZGKHCMXVMHV-UHFFFAOYSA-N
XLogP4.67
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(naphthalen-2-yloxymethyl)thiophen-2-yl]methanone
CID 19498942
ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate
CID 19498976
(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone
CID 19490824
(4-benzylpiperazin-1-yl)-[4-[(3,4-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471815
[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 19499165
(4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19491068
[4-[4-[(4-fluorophenoxy)methyl]thiophene-2-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 19469589
(4-benzylpiperazin-1-yl)-[4-[(4-nitrophenoxy)methyl]thiophen-2-yl]methanone
CID 19497037
N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499067
(4-benzylpiperidin-1-yl)-[4-[(4-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanone
CID 19484538
[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]methanone
CID 19503455
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(phenoxymethyl)thiophen-2-yl]methanone
CID 19490964

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone (CID 19498934) is furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)c2cc(COc3ccc4ccccc4c3)cs2)CC1.
What is the InChIKey of furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is JGMZGKHCMXVMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S/c28-24(22-6-3-13-30-22)26-9-11-27(12-10-26)25(29)23-14-18(17-32-23)16-31-21-8-7-19-4-1-2-5-20(19)15-21/h1-8,13-15,17H,9-12,16H2.
What are the key properties of furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 446.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19498934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).