3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one

C20H22N2O3S2 — CID 3842799

IUPAC3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCSc1ccc(C(=O)N2CCC(N3C(=O)OCC3c3ccccc3)CC2)s1
InChIInChI=1S/C20H22N2O3S2/c1-26-18-8-7-17(27-18)19(23)21-11-9-15(10-12-21)22-16(13-25-20(22)24)14-5-3-2-4-6-14/h2-8,15-16H,9-13H2,1H3
InChIKeyWZJIYKKZWASOFV-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.27
Rot. Bonds4

About 3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one

3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 3842799) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID3842799
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC Name3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCSc1ccc(C(=O)N2CCC(N3C(=O)OCC3c3ccccc3)CC2)s1
InChIInChI=1S/C20H22N2O3S2/c1-26-18-8-7-17(27-18)19(23)21-11-9-15(10-12-21)22-16(13-25-20(22)24)14-5-3-2-4-6-14/h2-8,15-16H,9-13H2,1H3
InChIKeyWZJIYKKZWASOFV-UHFFFAOYSA-N
XLogP4.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 3842799) is 3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one is CSc1ccc(C(=O)N2CCC(N3C(=O)OCC3c3ccccc3)CC2)s1.
What is the InChIKey of 3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WZJIYKKZWASOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-26-18-8-7-17(27-18)19(23)21-11-9-15(10-12-21)22-16(13-25-20(22)24)14-5-3-2-4-6-14/h2-8,15-16H,9-13H2,1H3.
What are the key properties of 3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 402.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3842799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).