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

C16H12BrFN2O2S — CID 46395976

IUPACN-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3ccc(Br)cc3F)ccc2s1
InChIInChI=1S/C16H12BrFN2O2S/c1-9-6-11-14(23-9)4-5-20(16(11)22)8-15(21)19-13-3-2-10(17)7-12(13)18/h2-7H,8H2,1H3,(H,19,21)
InChIKeyGHRBFLAMSVJTAK-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.91
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 46395976) has the molecular formula C16H12BrFN2O2S and a molecular weight of 395.25 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID46395976
Molecular FormulaC16H12BrFN2O2S
Molecular Weight395.25 g/mol
Exact Mass393.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3ccc(Br)cc3F)ccc2s1
InChIInChI=1S/C16H12BrFN2O2S/c1-9-6-11-14(23-9)4-5-20(16(11)22)8-15(21)19-13-3-2-10(17)7-12(13)18/h2-7H,8H2,1H3,(H,19,21)
InChIKeyGHRBFLAMSVJTAK-UHFFFAOYSA-N
XLogP3.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide (CID 46395976) is N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide is Cc1cc2c(=O)n(CC(=O)Nc3ccc(Br)cc3F)ccc2s1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is GHRBFLAMSVJTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2S/c1-9-6-11-14(23-9)4-5-20(16(11)22)8-15(21)19-13-3-2-10(17)7-12(13)18/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 395.25 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 46395976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).