(4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone

C27H26N2O5S — CID 32648097

IUPAC(4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C27H26N2O5S/c30-27(28-14-16-29(17-15-28)35(31,32)20-21-6-2-1-3-7-21)26-13-12-25(34-26)19-33-24-11-10-22-8-4-5-9-23(22)18-24/h1-13,18H,14-17,19-20H2
InChIKeyCIJRSJLDSMGOPE-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.30
Rot. Bonds7

About (4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone

(4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone (PubChem CID 32648097) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is (4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
PubChem CID32648097
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC Name(4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C27H26N2O5S/c30-27(28-14-16-29(17-15-28)35(31,32)20-21-6-2-1-3-7-21)26-13-12-25(34-26)19-33-24-11-10-22-8-4-5-9-23(22)18-24/h1-13,18H,14-17,19-20H2
InChIKeyCIJRSJLDSMGOPE-UHFFFAOYSA-N
XLogP4.30
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 19579214
[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 112800527
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19331869
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19297368
[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119517190
[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 19584996
(3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119377660
[4-(benzenesulfonyl)piperazin-1-yl]-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]methanone
CID 19585294
1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one
CID 52687569
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 26872270
(4-benzylpiperazin-1-yl)-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 46488837
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 27799823

Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone?
The IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone (CID 32648097) is (4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone?
The canonical SMILES for (4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone is O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone?
The InChIKey is CIJRSJLDSMGOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c30-27(28-14-16-29(17-15-28)35(31,32)20-21-6-2-1-3-7-21)26-13-12-25(34-26)19-33-24-11-10-22-8-4-5-9-23(22)18-24/h1-13,18H,14-17,19-20H2.
What are the key properties of (4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone?
(4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone has a molecular weight of 490.58 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 32648097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).