[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

C23H23FN2O5S2 — CID 55427701

IUPAC[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1ccccc1-c1nc(COC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cs1
InChIInChI=1S/C23H23FN2O5S2/c1-30-21-7-3-2-6-20(21)22-25-18(15-32-22)14-31-23(27)16-5-4-12-26(13-16)33(28,29)19-10-8-17(24)9-11-19/h2-3,6-11,15-16H,4-5,12-14H2,1H3
InChIKeyRAALQCBKOMKCRP-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.10
Rot. Bonds7

About [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 55427701) has the molecular formula C23H23FN2O5S2 and a molecular weight of 490.58 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
PubChem CID55427701
Molecular FormulaC23H23FN2O5S2
Molecular Weight490.58 g/mol
Exact Mass490.10
IUPAC Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1ccccc1-c1nc(COC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cs1
InChIInChI=1S/C23H23FN2O5S2/c1-30-21-7-3-2-6-20(21)22-25-18(15-32-22)14-31-23(27)16-5-4-12-26(13-16)33(28,29)19-10-8-17(24)9-11-19/h2-3,6-11,15-16H,4-5,12-14H2,1H3
InChIKeyRAALQCBKOMKCRP-UHFFFAOYSA-N
XLogP4.10
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methoxyphenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 55414190
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 46659654
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 32743214
1,3-benzothiazol-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 45355008
(3S)-N-[(2,6-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100800260
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
(4-methylsulfanylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 46659336
[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26687371
1-(4-fluorophenyl)sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 55897208
[2-(N-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 46659401
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 46659170

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate (CID 55427701) is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate is COc1ccccc1-c1nc(COC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cs1.
What is the InChIKey of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is RAALQCBKOMKCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S2/c1-30-21-7-3-2-6-20(21)22-25-18(15-32-22)14-31-23(27)16-5-4-12-26(13-16)33(28,29)19-10-8-17(24)9-11-19/h2-3,6-11,15-16H,4-5,12-14H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 490.58 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 55427701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).