N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide

About N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide

N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide (PubChem CID 46300784) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide.

Molecular Properties

Compound Name	N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide
PubChem CID	46300784
Molecular Formula	C23H27N5O4S
Molecular Weight	469.57 g/mol
Exact Mass	469.18
IUPAC Name	N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide
SMILES	COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CCC(C)C4)ccc1OC(C)C
InChI	InChI=1S/C23H27N5O4S/c1-13(2)32-17-8-6-15(10-18(17)31-4)11-24-25-20(29)12-28-23(30)21-16-7-5-14(3)9-19(16)33-22(21)26-27-28/h6,8,10-11,13-14H,5,7,9,12H2,1-4H3,(H,25,29)/b24-11+
InChIKey	UCYRPLKFJLPHFN-BHGWPJFGSA-N
XLogP	2.92
TPSA	107.70 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide?

The IUPAC name of N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide (CID 46300784) is N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide.

What is the SMILES notation for N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide?

The canonical SMILES for N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide is COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CCC(C)C4)ccc1OC(C)C.

What is the InChIKey of N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide?

The InChIKey is UCYRPLKFJLPHFN-BHGWPJFGSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-13(2)32-17-8-6-15(10-18(17)31-4)11-24-25-20(29)12-28-23(30)21-16-7-5-14(3)9-19(16)33-22(21)26-27-28/h6,8,10-11,13-14H,5,7,9,12H2,1-4H3,(H,25,29)/b24-11+.

What are the key properties of N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide?

N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide has a molecular weight of 469.57 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide is sourced from PubChem (CID 46300784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).