5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide

C24H38N2O4S — CID 21030738

IUPAC5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide
SMILESCCCCCCCCNC(=O)c1sc2nc(OCCCCCCCC)oc(=O)c2c1C
InChIInChI=1S/C24H38N2O4S/c1-4-6-8-10-12-14-16-25-21(27)20-18(3)19-22(31-20)26-24(30-23(19)28)29-17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H,25,27)
InChIKeyOPJKQEBKLHKSSP-UHFFFAOYSA-N
MW450.65 g/mol
LogP6.39
Rot. Bonds16

About 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide

5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide (PubChem CID 21030738) has the molecular formula C24H38N2O4S and a molecular weight of 450.65 g/mol. Its IUPAC name is 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide
PubChem CID21030738
Molecular FormulaC24H38N2O4S
Molecular Weight450.65 g/mol
Exact Mass450.26
IUPAC Name5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide
SMILESCCCCCCCCNC(=O)c1sc2nc(OCCCCCCCC)oc(=O)c2c1C
InChIInChI=1S/C24H38N2O4S/c1-4-6-8-10-12-14-16-25-21(27)20-18(3)19-22(31-20)26-24(30-23(19)28)29-17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H,25,27)
InChIKeyOPJKQEBKLHKSSP-UHFFFAOYSA-N
XLogP6.39
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.65
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide with MolForge

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Related Compounds

N-hexadecyl-5-methyl-2-(octylamino)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide
CID 21030791
octyl 5-methyl-2-(2-methylpropoxy)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate
CID 21030804
5-methyl-2-(octylamino)-4-oxo-N-(4-phenylbutyl)thieno[2,3-d][1,3]oxazine-6-carboxamide
CID 21030726
2-(heptylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylic acid
CID 22053913
2-hexadecoxy-5-methylthieno[2,3-d][1,3]oxazin-4-one
CID 141072532
N-(3-butoxypropyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 36844445
3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid
CID 82033890
2-octoxy-6-octylthieno[2,3-d][1,3]oxazin-4-one
CID 10172881
6-hexyl-2-octoxythieno[2,3-d][1,3]oxazin-4-one
CID 10215668
N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567886
4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 33141822
2-[(dimethylamino)methyl]-N-(4-hexoxyphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 110500079

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide?
The IUPAC name of 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide (CID 21030738) is 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide.
What is the SMILES notation for 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide?
The canonical SMILES for 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide is CCCCCCCCNC(=O)c1sc2nc(OCCCCCCCC)oc(=O)c2c1C.
What is the InChIKey of 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide?
The InChIKey is OPJKQEBKLHKSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4S/c1-4-6-8-10-12-14-16-25-21(27)20-18(3)19-22(31-20)26-24(30-23(19)28)29-17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H,25,27).
What are the key properties of 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide?
5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide has a molecular weight of 450.65 g/mol, XLogP of 6.39, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide is sourced from PubChem (CID 21030738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).