dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate

C27H25NO6S — CID 3363765

IUPACdibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)Oc2ccc3oc4ccccc4c3c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C27H25NO6S/c1-32-25-12-9-19(17-26(25)35(30,31)28-15-5-2-6-16-28)10-14-27(29)33-20-11-13-24-22(18-20)21-7-3-4-8-23(21)34-24/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3
InChIKeyFCXZWIWTWOTNEH-UHFFFAOYSA-N
MW491.57 g/mol
LogP5.39
Rot. Bonds6

About dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate

dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate (PubChem CID 3363765) has the molecular formula C27H25NO6S and a molecular weight of 491.57 g/mol. Its IUPAC name is dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate.

Molecular Properties

Compound Namedibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate
PubChem CID3363765
Molecular FormulaC27H25NO6S
Molecular Weight491.57 g/mol
Exact Mass491.14
IUPAC Namedibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)Oc2ccc3oc4ccccc4c3c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C27H25NO6S/c1-32-25-12-9-19(17-26(25)35(30,31)28-15-5-2-6-16-28)10-14-27(29)33-20-11-13-24-22(18-20)21-7-3-4-8-23(21)34-24/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3
InChIKeyFCXZWIWTWOTNEH-UHFFFAOYSA-N
XLogP5.39
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.57
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylphenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate
CID 7901030
(4-chlorophenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate
CID 2667182
(4-bromophenyl) (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate
CID 2667054
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-phenylprop-2-enamide
CID 2598603
methyl (E)-3-(3,4-dimethoxy-5-pyrrolidin-1-ylsulfonylphenyl)prop-2-enoate
CID 47081365
(E)-N-(2-ethylphenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 6213234
(E)-N-[(2-fluorophenyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 16610205
N-(3-bromophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4801360
[2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 3577792
N-(1H-benzimidazol-2-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4812617
3-[3-(4-acetylpiperazin-1-yl)sulfonyl-4-methoxyphenyl]prop-2-enoic acid
CID 71902676
N-(2,4-dimethylphenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4801885

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate?
The IUPAC name of dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate (CID 3363765) is dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate.
What is the SMILES notation for dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate?
The canonical SMILES for dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate is COc1ccc(C=CC(=O)Oc2ccc3oc4ccccc4c3c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate?
The InChIKey is FCXZWIWTWOTNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO6S/c1-32-25-12-9-19(17-26(25)35(30,31)28-15-5-2-6-16-28)10-14-27(29)33-20-11-13-24-22(18-20)21-7-3-4-8-23(21)34-24/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3.
What are the key properties of dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate?
dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate has a molecular weight of 491.57 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate is sourced from PubChem (CID 3363765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).