methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate

C24H24N2O6S — CID 24730912

IUPACmethyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(-c4ccco4)cc3)CC2)c1
InChIInChI=1S/C24H24N2O6S/c1-31-23(27)18-4-2-5-19(16-18)25-24(28)26-13-11-21(12-14-26)33(29,30)20-9-7-17(8-10-20)22-6-3-15-32-22/h2-10,15-16,21H,11-14H2,1H3,(H,25,28)
InChIKeyZTGIIEDPHOECJI-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.20
Rot. Bonds5

About methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate

methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate (PubChem CID 24730912) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate
PubChem CID24730912
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Namemethyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(-c4ccco4)cc3)CC2)c1
InChIInChI=1S/C24H24N2O6S/c1-31-23(27)18-4-2-5-19(16-18)25-24(28)26-13-11-21(12-14-26)33(29,30)20-9-7-17(8-10-20)22-6-3-15-32-22/h2-10,15-16,21H,11-14H2,1H3,(H,25,28)
InChIKeyZTGIIEDPHOECJI-UHFFFAOYSA-N
XLogP4.20
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide
CID 24730910
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
methyl 2-[1-[(3-methoxyphenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate
CID 24731892
4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90589401
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
tert-butyl 4-[4-(4-methoxycarbonylphenyl)phenyl]sulfonylpiperidine-1-carboxylate
CID 139989206
methyl 3-[[4-(3-methoxypropyl)piperazine-1-carbonyl]amino]benzoate
CID 113105249
methyl 3-[[4-(2,4-dimethoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4585188

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate (CID 24730912) is methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(-c4ccco4)cc3)CC2)c1.
What is the InChIKey of methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate?
The InChIKey is ZTGIIEDPHOECJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-31-23(27)18-4-2-5-19(16-18)25-24(28)26-13-11-21(12-14-26)33(29,30)20-9-7-17(8-10-20)22-6-3-15-32-22/h2-10,15-16,21H,11-14H2,1H3,(H,25,28).
What are the key properties of methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate?
methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate has a molecular weight of 468.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 24730912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).