N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide

C15H19F2N3O6S — CID 18561589

IUPACN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCC1OCCCN1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2N3O6S/c16-10-2-3-11(17)12(8-10)27(24,25)20-5-1-7-26-13(20)9-19-15(23)14(22)18-4-6-21/h2-3,8,13,21H,1,4-7,9H2,(H,18,22)(H,19,23)
InChIKeyVWBQDFGSCDXMQE-UHFFFAOYSA-N
MW407.40 g/mol
LogP-1.07
Rot. Bonds6

About N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide

N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide (PubChem CID 18561589) has the molecular formula C15H19F2N3O6S and a molecular weight of 407.40 g/mol. Its IUPAC name is N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide
PubChem CID18561589
Molecular FormulaC15H19F2N3O6S
Molecular Weight407.40 g/mol
Exact Mass407.10
IUPAC NameN'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCC1OCCCN1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2N3O6S/c16-10-2-3-11(17)12(8-10)27(24,25)20-5-1-7-26-13(20)9-19-15(23)14(22)18-4-6-21/h2-3,8,13,21H,1,4-7,9H2,(H,18,22)(H,19,23)
InChIKeyVWBQDFGSCDXMQE-UHFFFAOYSA-N
XLogP-1.07
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide (CID 18561589) is N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide is O=C(NCCO)C(=O)NCC1OCCCN1S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide?
The InChIKey is VWBQDFGSCDXMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O6S/c16-10-2-3-11(17)12(8-10)27(24,25)20-5-1-7-26-13(20)9-19-15(23)14(22)18-4-6-21/h2-3,8,13,21H,1,4-7,9H2,(H,18,22)(H,19,23).
What are the key properties of N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide?
N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide has a molecular weight of 407.40 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 18561589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).