[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

C23H26N2O5S2 — CID 32854126

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3csc(-c4ccco4)n3)CC2)cc1
InChIInChI=1S/C23H26N2O5S2/c1-16(2)17-5-7-20(8-6-17)32(27,28)25-11-9-18(10-12-25)23(26)30-14-19-15-31-22(24-19)21-4-3-13-29-21/h3-8,13,15-16,18H,9-12,14H2,1-2H3
InChIKeyOVBZSFQQPMHDNQ-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.67
Rot. Bonds7

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 32854126) has the molecular formula C23H26N2O5S2 and a molecular weight of 474.60 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID32854126
Molecular FormulaC23H26N2O5S2
Molecular Weight474.60 g/mol
Exact Mass474.13
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3csc(-c4ccco4)n3)CC2)cc1
InChIInChI=1S/C23H26N2O5S2/c1-16(2)17-5-7-20(8-6-17)32(27,28)25-11-9-18(10-12-25)23(26)30-14-19-15-31-22(24-19)21-4-3-13-29-21/h3-8,13,15-16,18H,9-12,14H2,1-2H3
InChIKeyOVBZSFQQPMHDNQ-UHFFFAOYSA-N
XLogP4.67
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 32743214
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 55542892
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 86893271
(3-fluorophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 16541300
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55529442
(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 27543624
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594
(4-cyanophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 29321290
(4-propan-2-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 7843819
pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42578108
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55529976
(2-methyl-1,3-thiazol-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 8854188

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate (CID 32854126) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3csc(-c4ccco4)n3)CC2)cc1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is OVBZSFQQPMHDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S2/c1-16(2)17-5-7-20(8-6-17)32(27,28)25-11-9-18(10-12-25)23(26)30-14-19-15-31-22(24-19)21-4-3-13-29-21/h3-8,13,15-16,18H,9-12,14H2,1-2H3.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 474.60 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 32854126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).