N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

C23H25FN4O5S — CID 12005877

IUPACN'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NCC1OCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O5S/c24-17-6-8-18(9-7-17)34(31,32)28-12-3-13-33-21(28)15-27-23(30)22(29)25-11-10-16-14-26-20-5-2-1-4-19(16)20/h1-2,4-9,14,21,26H,3,10-13,15H2,(H,25,29)(H,27,30)
InChIKeyHHFWKZDEPDSECD-UHFFFAOYSA-N
MW488.54 g/mol
LogP1.52
Rot. Bonds7

About N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 12005877) has the molecular formula C23H25FN4O5S and a molecular weight of 488.54 g/mol. Its IUPAC name is N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID12005877
Molecular FormulaC23H25FN4O5S
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC NameN'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NCC1OCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O5S/c24-17-6-8-18(9-7-17)34(31,32)28-12-3-13-33-21(28)15-27-23(30)22(29)25-11-10-16-14-26-20-5-2-1-4-19(16)20/h1-2,4-9,14,21,26H,3,10-13,15H2,(H,25,29)(H,27,30)
InChIKeyHHFWKZDEPDSECD-UHFFFAOYSA-N
XLogP1.52
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]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'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 12005877) is N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is O=C(NCCc1c[nH]c2ccccc12)C(=O)NCC1OCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is HHFWKZDEPDSECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5S/c24-17-6-8-18(9-7-17)34(31,32)28-12-3-13-33-21(28)15-27-23(30)22(29)25-11-10-16-14-26-20-5-2-1-4-19(16)20/h1-2,4-9,14,21,26H,3,10-13,15H2,(H,25,29)(H,27,30).
What are the key properties of N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 488.54 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 12005877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).