N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide

C15H13N3O2S — CID 115912011

IUPACN-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESNc1cccc(NC(=O)Cn2ccc3sccc3c2=O)c1
InChIInChI=1S/C15H13N3O2S/c16-10-2-1-3-11(8-10)17-14(19)9-18-6-4-13-12(15(18)20)5-7-21-13/h1-8H,9,16H2,(H,17,19)
InChIKeyFNHJNDLACZDAOP-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.28
Rot. Bonds3

About N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide

N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 115912011) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID115912011
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESNc1cccc(NC(=O)Cn2ccc3sccc3c2=O)c1
InChIInChI=1S/C15H13N3O2S/c16-10-2-1-3-11(8-10)17-14(19)9-18-6-4-13-12(15(18)20)5-7-21-13/h1-8H,9,16H2,(H,17,19)
InChIKeyFNHJNDLACZDAOP-UHFFFAOYSA-N
XLogP2.28
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396043
N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396068
N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396038
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396051
N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
N-(1-methoxypropan-2-yl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 103985530
3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886525
5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one
CID 115911999
N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354432
N-(3-aminophenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
CID 63206473

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide (CID 115912011) is N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide is Nc1cccc(NC(=O)Cn2ccc3sccc3c2=O)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is FNHJNDLACZDAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-10-2-1-3-11(8-10)17-14(19)9-18-6-4-13-12(15(18)20)5-7-21-13/h1-8H,9,16H2,(H,17,19).
What are the key properties of N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 299.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 115912011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).