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

C16H13BrN2O2S — CID 46396011

IUPACN-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3cccc(Br)c3)ccc2s1
InChIInChI=1S/C16H13BrN2O2S/c1-10-7-13-14(22-10)5-6-19(16(13)21)9-15(20)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,20)
InChIKeyOUFHJDUKASVEBP-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.77
Rot. Bonds3

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

N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 46396011) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID46396011
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3cccc(Br)c3)ccc2s1
InChIInChI=1S/C16H13BrN2O2S/c1-10-7-13-14(22-10)5-6-19(16(13)21)9-15(20)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,20)
InChIKeyOUFHJDUKASVEBP-UHFFFAOYSA-N
XLogP3.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide (CID 46396011) is N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide is Cc1cc2c(=O)n(CC(=O)Nc3cccc(Br)c3)ccc2s1.
What is the InChIKey of N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is OUFHJDUKASVEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-10-7-13-14(22-10)5-6-19(16(13)21)9-15(20)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 377.26 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 46396011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).