[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

C24H22N2O4S2 — CID 26713370

IUPAC[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C24H22N2O4S2/c27-24(21-11-10-18(30-21)16-32(28,29)19-6-2-1-3-7-19)26-14-12-17(13-15-26)23-25-20-8-4-5-9-22(20)31-23/h1-11,17H,12-16H2
InChIKeyBKXDJDQKWOQQEY-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.88
Rot. Bonds5

About [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 26713370) has the molecular formula C24H22N2O4S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
PubChem CID26713370
Molecular FormulaC24H22N2O4S2
Molecular Weight466.58 g/mol
Exact Mass466.10
IUPAC Name[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C24H22N2O4S2/c27-24(21-11-10-18(30-21)16-32(28,29)19-6-2-1-3-7-19)26-14-12-17(13-15-26)23-25-20-8-4-5-9-22(20)31-23/h1-11,17H,12-16H2
InChIKeyBKXDJDQKWOQQEY-UHFFFAOYSA-N
XLogP4.88
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 9218779
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9218663
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 9218650
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 3277806
4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40939133
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 1430879
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 21007826
1-[[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 27782574
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 46698817
4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide
CID 134061805
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 8751835
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 27782572

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (CID 26713370) is [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is BKXDJDQKWOQQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S2/c27-24(21-11-10-18(30-21)16-32(28,29)19-6-2-1-3-7-19)26-14-12-17(13-15-26)23-25-20-8-4-5-9-22(20)31-23/h1-11,17H,12-16H2.
What are the key properties of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 466.58 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 26713370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).