N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide

C23H24N2O4S2 — CID 25160557

IUPACN-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CNC(=O)OC1c1ccc(-c2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-15(2)31(27,28)25-21-13-24-23(26)29-22(21)19-9-7-17(8-10-19)16-3-5-18(6-4-16)20-11-12-30-14-20/h3-12,14-15,21-22,25H,13H2,1-2H3,(H,24,26)
InChIKeyCSHYFKSJBZWTPG-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.56
Rot. Bonds6

About N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide

N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide (PubChem CID 25160557) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide
PubChem CID25160557
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CNC(=O)OC1c1ccc(-c2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-15(2)31(27,28)25-21-13-24-23(26)29-22(21)19-9-7-17(8-10-19)16-3-5-18(6-4-16)20-11-12-30-14-20/h3-12,14-15,21-22,25H,13H2,1-2H3,(H,24,26)
InChIKeyCSHYFKSJBZWTPG-UHFFFAOYSA-N
XLogP4.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide?
The IUPAC name of N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide (CID 25160557) is N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide?
The canonical SMILES for N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CNC(=O)OC1c1ccc(-c2ccc(-c3ccsc3)cc2)cc1.
What is the InChIKey of N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide?
The InChIKey is CSHYFKSJBZWTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-15(2)31(27,28)25-21-13-24-23(26)29-22(21)19-9-7-17(8-10-19)16-3-5-18(6-4-16)20-11-12-30-14-20/h3-12,14-15,21-22,25H,13H2,1-2H3,(H,24,26).
What are the key properties of N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide?
N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide has a molecular weight of 456.59 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide is sourced from PubChem (CID 25160557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).