ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate

C23H24N2O4S2 — CID 3761247

IUPACethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3csc(-c4ccccc4)n3)c2)CC1
InChIInChI=1S/C23H24N2O4S2/c1-2-29-23(26)18-11-13-25(14-12-18)31(27,28)20-10-6-9-19(15-20)21-16-30-22(24-21)17-7-4-3-5-8-17/h3-10,15-16,18H,2,11-14H2,1H3
InChIKeyWVHGYWBNQRPMBT-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.44
Rot. Bonds6

About ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate

ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate (PubChem CID 3761247) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
PubChem CID3761247
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Nameethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3csc(-c4ccccc4)n3)c2)CC1
InChIInChI=1S/C23H24N2O4S2/c1-2-29-23(26)18-11-13-25(14-12-18)31(27,28)20-10-6-9-19(15-20)21-16-30-22(24-21)17-7-4-3-5-8-17/h3-10,15-16,18H,2,11-14H2,1H3
InChIKeyWVHGYWBNQRPMBT-UHFFFAOYSA-N
XLogP4.44
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1034342
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
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CID 6222542
ethyl 1-[3-(bromomethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 142526639
ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 53117908
4-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-phenyl-1,3-thiazole
CID 7735634
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 41153023
ethyl 1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2795657
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
ethyl 1-[3-[4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-1-phenylpyrazol-3-yl]phenyl]sulfonylpiperidine-4-carboxylate
CID 4700964
ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 19258795

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate (CID 3761247) is ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3csc(-c4ccccc4)n3)c2)CC1.
What is the InChIKey of ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The InChIKey is WVHGYWBNQRPMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-2-29-23(26)18-11-13-25(14-12-18)31(27,28)20-10-6-9-19(15-20)21-16-30-22(24-21)17-7-4-3-5-8-17/h3-10,15-16,18H,2,11-14H2,1H3.
What are the key properties of ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate?
ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate has a molecular weight of 456.59 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 3761247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).