(5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

C23H29NO7S — CID 31226393

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)o1
InChIInChI=1S/C23H29NO7S/c1-23(2,3)17-5-8-19(9-6-17)32(27,28)24-13-11-16(12-14-24)21(25)30-15-18-7-10-20(31-18)22(26)29-4/h5-10,16H,11-15H2,1-4H3
InChIKeyFQYUQDDHBOKBEA-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.51
Rot. Bonds6

About (5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 31226393) has the molecular formula C23H29NO7S and a molecular weight of 463.55 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID31226393
Molecular FormulaC23H29NO7S
Molecular Weight463.55 g/mol
Exact Mass463.17
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)o1
InChIInChI=1S/C23H29NO7S/c1-23(2,3)17-5-8-19(9-6-17)32(27,28)24-13-11-16(12-14-24)21(25)30-15-18-7-10-20(31-18)22(26)29-4/h5-10,16H,11-15H2,1-4H3
InChIKeyFQYUQDDHBOKBEA-UHFFFAOYSA-N
XLogP3.51
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-oxo-2-propan-2-yloxyethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 46658315
[5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55730923
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 47003887
(4-methoxycarbonylphenyl)methyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 42988284
methyl 4-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26583106
methyl 5-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
CID 8742717
(3-methoxycarbonylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 42981610
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 55311954
(5-methoxycarbonylfuran-2-yl)methyl 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 43043763
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
methyl 3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 26705017
1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 55855836

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate (CID 31226393) is (5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate is COC(=O)c1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is FQYUQDDHBOKBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO7S/c1-23(2,3)17-5-8-19(9-6-17)32(27,28)24-13-11-16(12-14-24)21(25)30-15-18-7-10-20(31-18)22(26)29-4/h5-10,16H,11-15H2,1-4H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 463.55 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 31226393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).