4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

C11H11NO3S — CID 154853343

IUPAC4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESO=C(Nc1ccccc1)C1=COCCS1=O
InChIInChI=1S/C11H11NO3S/c13-11(10-8-15-6-7-16(10)14)12-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13)
InChIKeyFIKMLODPHMNTEU-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.25
Rot. Bonds2

About 4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 154853343) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound Name4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID154853343
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESO=C(Nc1ccccc1)C1=COCCS1=O
InChIInChI=1S/C11H11NO3S/c13-11(10-8-15-6-7-16(10)14)12-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13)
InChIKeyFIKMLODPHMNTEU-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of 4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 154853343) is 4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for 4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for 4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is O=C(Nc1ccccc1)C1=COCCS1=O.
What is the InChIKey of 4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is FIKMLODPHMNTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-11(10-8-15-6-7-16(10)14)12-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13).
What are the key properties of 4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 154853343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).