N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide

C16H19N3O5S3 — CID 4156821

IUPACN'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC1OCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H19N3O5S3/c20-15(17-10-12-4-1-8-25-12)16(21)18-11-13-19(6-3-7-24-13)27(22,23)14-5-2-9-26-14/h1-2,4-5,8-9,13H,3,6-7,10-11H2,(H,17,20)(H,18,21)
InChIKeyVMPMUWDMXTUNEJ-UHFFFAOYSA-N
MW429.55 g/mol
LogP0.98
Rot. Bonds6

About N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide

N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide (PubChem CID 4156821) has the molecular formula C16H19N3O5S3 and a molecular weight of 429.55 g/mol. Its IUPAC name is N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide
PubChem CID4156821
Molecular FormulaC16H19N3O5S3
Molecular Weight429.55 g/mol
Exact Mass429.05
IUPAC NameN'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC1OCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H19N3O5S3/c20-15(17-10-12-4-1-8-25-12)16(21)18-11-13-19(6-3-7-24-13)27(22,23)14-5-2-9-26-14/h1-2,4-5,8-9,13H,3,6-7,10-11H2,(H,17,20)(H,18,21)
InChIKeyVMPMUWDMXTUNEJ-UHFFFAOYSA-N
XLogP0.98
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-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

Related Compounds

N-[[3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 4250425
N1-benzyl-N2-((3-(thiophen-2-ylsulfonyl)oxazolidin-2-yl)methyl)oxalamide
CID 12006054
N1-phenethyl-N2-((3-(thiophen-2-ylsulfonyl)oxazolidin-2-yl)methyl)oxalamide
CID 18561490
N1-(4-methylbenzyl)-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18561600
N1-(4-fluorobenzyl)-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18561603
N1-phenethyl-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18561610
N1-(2-fluorobenzyl)-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18562515
N1-(2-methylbenzyl)-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18562517
2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3207057
N1-benzyl-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18561598
N1-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18562499
N1-((3-((4-fluoro-3-methylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18562594

Frequently Asked Questions

What is the IUPAC name of N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide?
The IUPAC name of N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide (CID 4156821) is N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide?
The canonical SMILES for N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide is O=C(NCc1cccs1)C(=O)NCC1OCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide?
The InChIKey is VMPMUWDMXTUNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S3/c20-15(17-10-12-4-1-8-25-12)16(21)18-11-13-19(6-3-7-24-13)27(22,23)14-5-2-9-26-14/h1-2,4-5,8-9,13H,3,6-7,10-11H2,(H,17,20)(H,18,21).
What are the key properties of N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide?
N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide has a molecular weight of 429.55 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide is sourced from PubChem (CID 4156821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).