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

C18H23F2N3O5S — CID 18561585

IUPACN'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESO=C(NCC1OCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)NC1CCCC1
InChIInChI=1S/C18H23F2N3O5S/c19-12-6-7-14(20)15(10-12)29(26,27)23-8-3-9-28-16(23)11-21-17(24)18(25)22-13-4-1-2-5-13/h6-7,10,13,16H,1-5,8-9,11H2,(H,21,24)(H,22,25)
InChIKeyIXCNLQGWHHENTD-UHFFFAOYSA-N
MW431.46 g/mol
LogP0.88
Rot. Bonds5

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

N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (PubChem CID 18561585) has the molecular formula C18H23F2N3O5S and a molecular weight of 431.46 g/mol. Its IUPAC name is N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
PubChem CID18561585
Molecular FormulaC18H23F2N3O5S
Molecular Weight431.46 g/mol
Exact Mass431.13
IUPAC NameN'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESO=C(NCC1OCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)NC1CCCC1
InChIInChI=1S/C18H23F2N3O5S/c19-12-6-7-14(20)15(10-12)29(26,27)23-8-3-9-28-16(23)11-21-17(24)18(25)22-13-4-1-2-5-13/h6-7,10,13,16H,1-5,8-9,11H2,(H,21,24)(H,22,25)
InChIKeyIXCNLQGWHHENTD-UHFFFAOYSA-N
XLogP0.88
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (CID 18561585) is N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is O=C(NCC1OCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The InChIKey is IXCNLQGWHHENTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O5S/c19-12-6-7-14(20)15(10-12)29(26,27)23-8-3-9-28-16(23)11-21-17(24)18(25)22-13-4-1-2-5-13/h6-7,10,13,16H,1-5,8-9,11H2,(H,21,24)(H,22,25).
What are the key properties of N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide has a molecular weight of 431.46 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is sourced from PubChem (CID 18561585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).