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

C19H25F2N3O5S — CID 3308299

IUPACN'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESO=C(NCC1OCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C19H25F2N3O5S/c20-13-7-8-15(21)16(11-13)30(27,28)24-9-4-10-29-17(24)12-22-18(25)19(26)23-14-5-2-1-3-6-14/h7-8,11,14,17H,1-6,9-10,12H2,(H,22,25)(H,23,26)
InChIKeyDQOPFGXKQHAYOJ-UHFFFAOYSA-N
MW445.49 g/mol
LogP1.27
Rot. Bonds5

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

N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (PubChem CID 3308299) has the molecular formula C19H25F2N3O5S and a molecular weight of 445.49 g/mol. Its IUPAC name is N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
PubChem CID3308299
Molecular FormulaC19H25F2N3O5S
Molecular Weight445.49 g/mol
Exact Mass445.15
IUPAC NameN'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESO=C(NCC1OCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C19H25F2N3O5S/c20-13-7-8-15(21)16(11-13)30(27,28)24-9-4-10-29-17(24)12-22-18(25)19(26)23-14-5-2-1-3-6-14/h7-8,11,14,17H,1-6,9-10,12H2,(H,22,25)(H,23,26)
InChIKeyDQOPFGXKQHAYOJ-UHFFFAOYSA-N
XLogP1.27
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (CID 3308299) is N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is O=C(NCC1OCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)NC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The InChIKey is DQOPFGXKQHAYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O5S/c20-13-7-8-15(21)16(11-13)30(27,28)24-9-4-10-29-17(24)12-22-18(25)19(26)23-14-5-2-1-3-6-14/h7-8,11,14,17H,1-6,9-10,12H2,(H,22,25)(H,23,26).
What are the key properties of N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide has a molecular weight of 445.49 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is sourced from PubChem (CID 3308299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).