N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C17H13N5O4S — CID 16580683

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)Cn3nnn(-c4cccs4)c3=O)ccc12
InChIInChI=1S/C17H13N5O4S/c1-10-7-16(24)26-13-8-11(4-5-12(10)13)18-14(23)9-21-17(25)22(20-19-21)15-3-2-6-27-15/h2-8H,9H2,1H3,(H,18,23)
InChIKeyZGLILJWPRMPALZ-UHFFFAOYSA-N
MW383.39 g/mol
LogP1.54
Rot. Bonds4

About N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 16580683) has the molecular formula C17H13N5O4S and a molecular weight of 383.39 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID16580683
Molecular FormulaC17H13N5O4S
Molecular Weight383.39 g/mol
Exact Mass383.07
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)Cn3nnn(-c4cccs4)c3=O)ccc12
InChIInChI=1S/C17H13N5O4S/c1-10-7-16(24)26-13-8-11(4-5-12(10)13)18-14(23)9-21-17(25)22(20-19-21)15-3-2-6-27-15/h2-8H,9H2,1H3,(H,18,23)
InChIKeyZGLILJWPRMPALZ-UHFFFAOYSA-N
XLogP1.54
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17454179
N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 8006706
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24581212
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41401781
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 19166972
N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444231
N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131426
N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17478619
N-(4-methyl-2-oxochromen-7-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 42937652
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24581361
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 16580683) is N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is Cc1cc(=O)oc2cc(NC(=O)Cn3nnn(-c4cccs4)c3=O)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is ZGLILJWPRMPALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4S/c1-10-7-16(24)26-13-8-11(4-5-12(10)13)18-14(23)9-21-17(25)22(20-19-21)15-3-2-6-27-15/h2-8H,9H2,1H3,(H,18,23).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 383.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 16580683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).