2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide

C15H12N4O3S — CID 9475700

IUPAC2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C15H12N4O3S/c16-14(22)10-5-6-23-15(10)18-13(21)8-19-11-4-2-1-3-9(11)12(20)7-17-19/h1-7H,8H2,(H2,16,22)(H,18,21)
InChIKeyOWRFVZBUNOIZOK-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.20
Rot. Bonds4

About 2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 9475700) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID9475700
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C15H12N4O3S/c16-14(22)10-5-6-23-15(10)18-13(21)8-19-11-4-2-1-3-9(11)12(20)7-17-19/h1-7H,8H2,(H2,16,22)(H,18,21)
InChIKeyOWRFVZBUNOIZOK-UHFFFAOYSA-N
XLogP1.20
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
N-cyclopropyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134012623
2-(4-oxocinnolin-1-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 134013002
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]thiophene-3-carboxamide
CID 8897472
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 55415120
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide (CID 9475700) is 2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of 2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is OWRFVZBUNOIZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c16-14(22)10-5-6-23-15(10)18-13(21)8-19-11-4-2-1-3-9(11)12(20)7-17-19/h1-7H,8H2,(H2,16,22)(H,18,21).
What are the key properties of 2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9475700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).