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

C24H30N4O2S — CID 2793205

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide
SMILESCC1CCc2c(sc3nnn(CC(=O)Nc4c(C(C)C)cccc4C(C)C)c(=O)c23)C1
InChIInChI=1S/C24H30N4O2S/c1-13(2)16-7-6-8-17(14(3)4)22(16)25-20(29)12-28-24(30)21-18-10-9-15(5)11-19(18)31-23(21)26-27-28/h6-8,13-15H,9-12H2,1-5H3,(H,25,29)
InChIKeySEBGZWFSPQAELZ-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.86
Rot. Bonds5

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

N-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide (PubChem CID 2793205) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide
PubChem CID2793205
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide
SMILESCC1CCc2c(sc3nnn(CC(=O)Nc4c(C(C)C)cccc4C(C)C)c(=O)c23)C1
InChIInChI=1S/C24H30N4O2S/c1-13(2)16-7-6-8-17(14(3)4)22(16)25-20(29)12-28-24(30)21-18-10-9-15(5)11-19(18)31-23(21)26-27-28/h6-8,13-15H,9-12H2,1-5H3,(H,25,29)
InChIKeySEBGZWFSPQAELZ-UHFFFAOYSA-N
XLogP4.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide (CID 2793205) is N-[2,6-di(propan-2-yl)phenyl]-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-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide is CC1CCc2c(sc3nnn(CC(=O)Nc4c(C(C)C)cccc4C(C)C)c(=O)c23)C1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide?
The InChIKey is SEBGZWFSPQAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-13(2)16-7-6-8-17(14(3)4)22(16)25-20(29)12-28-24(30)21-18-10-9-15(5)11-19(18)31-23(21)26-27-28/h6-8,13-15H,9-12H2,1-5H3,(H,25,29).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide has a molecular weight of 438.60 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide is sourced from PubChem (CID 2793205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).