N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide

C18H21N3O6S — CID 7032148

IUPACN-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21N3O6S/c22-17(19-12-14-6-4-10-26-14)18(23)20-13-16-21(9-5-11-27-16)28(24,25)15-7-2-1-3-8-15/h1-4,6-8,10,16H,5,9,11-13H2,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyFVWPIEKVSWUXRB-MRXNPFEDSA-N
MW407.45 g/mol
LogP0.45
Rot. Bonds6

About N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide

N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide (PubChem CID 7032148) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
PubChem CID7032148
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21N3O6S/c22-17(19-12-14-6-4-10-26-14)18(23)20-13-16-21(9-5-11-27-16)28(24,25)15-7-2-1-3-8-15/h1-4,6-8,10,16H,5,9,11-13H2,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyFVWPIEKVSWUXRB-MRXNPFEDSA-N
XLogP0.45
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(furan-2-ylmethyl)-N-[[(2S)-3-(4-methoxyphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 42427992
N'-benzyl-N-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18562508
N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide
CID 7066730
N-[[3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 18562457
N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide
CID 7032144
N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 41140136
N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 41130441
N-[2-(furan-2-yl)ethyl]-N'-[[(2R)-3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41130970
N'-[[(2R)-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-phenylethyl)oxamide
CID 42427977
N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 3275625
N'-[(4-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18561582
N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 18561574

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
The IUPAC name of N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide (CID 7032148) is N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
The InChIKey is FVWPIEKVSWUXRB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O6S/c22-17(19-12-14-6-4-10-26-14)18(23)20-13-16-21(9-5-11-27-16)28(24,25)15-7-2-1-3-8-15/h1-4,6-8,10,16H,5,9,11-13H2,(H,19,22)(H,20,23)/t16-/m1/s1.
What are the key properties of N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide has a molecular weight of 407.45 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 7032148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).