(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate

C23H24N2O6S2 — CID 55504190

IUPAC(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)OCc2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C23H24N2O6S2/c1-15(26)17-8-10-18(11-9-17)33(28,29)25-12-4-3-6-20(25)23(27)30-14-19-16(2)31-22(24-19)21-7-5-13-32-21/h5,7-11,13,20H,3-4,6,12,14H2,1-2H3
InChIKeyYBTCYHMSVPPDEG-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.20
Rot. Bonds7

About (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate (PubChem CID 55504190) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
PubChem CID55504190
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)OCc2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C23H24N2O6S2/c1-15(26)17-8-10-18(11-9-17)33(28,29)25-12-4-3-6-20(25)23(27)30-14-19-16(2)31-22(24-19)21-7-5-13-32-21/h5,7-11,13,20H,3-4,6,12,14H2,1-2H3
InChIKeyYBTCYHMSVPPDEG-UHFFFAOYSA-N
XLogP4.20
TPSA106.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4,6-diamino-1,3,5-triazin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55391923
2-oxopropyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42978293
thiophen-2-ylmethyl (2R)-1-(4-bromophenyl)sulfonylpiperidine-2-carboxylate
CID 51929696
(3-chlorophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42986824
(4-nitrophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42990335
1,3-benzothiazol-2-ylmethyl (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 27278317
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 31703372
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate
CID 25470896
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627396
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3,4-difluorobenzoate
CID 24618782
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 41173428
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate (CID 55504190) is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate is CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)OCc2nc(-c3cccs3)oc2C)cc1.
What is the InChIKey of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
The InChIKey is YBTCYHMSVPPDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-15(26)17-8-10-18(11-9-17)33(28,29)25-12-4-3-6-20(25)23(27)30-14-19-16(2)31-22(24-19)21-7-5-13-32-21/h5,7-11,13,20H,3-4,6,12,14H2,1-2H3.
What are the key properties of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate has a molecular weight of 488.59 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 55504190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).