N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C19H14N2O4S — CID 22423109

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)Cn3c(=O)sc4ccccc43)ccc12
InChIInChI=1S/C19H14N2O4S/c1-11-8-18(23)25-15-9-12(6-7-13(11)15)20-17(22)10-21-14-4-2-3-5-16(14)26-19(21)24/h2-9H,10H2,1H3,(H,20,22)
InChIKeyOMAVUZRSDZHWCG-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.12
Rot. Bonds3

About N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 22423109) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID22423109
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)Cn3c(=O)sc4ccccc43)ccc12
InChIInChI=1S/C19H14N2O4S/c1-11-8-18(23)25-15-9-12(6-7-13(11)15)20-17(22)10-21-14-4-2-3-5-16(14)26-19(21)24/h2-9H,10H2,1H3,(H,20,22)
InChIKeyOMAVUZRSDZHWCG-UHFFFAOYSA-N
XLogP3.12
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 22423109) is N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is Cc1cc(=O)oc2cc(NC(=O)Cn3c(=O)sc4ccccc43)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is OMAVUZRSDZHWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-11-8-18(23)25-15-9-12(6-7-13(11)15)20-17(22)10-21-14-4-2-3-5-16(14)26-19(21)24/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 366.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 22423109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).