5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide

C14H14BrNO2S — CID 32607489

IUPAC5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1csc(Br)c1
InChIInChI=1S/C14H14BrNO2S/c1-18-8-11-5-3-2-4-10(11)7-16-14(17)12-6-13(15)19-9-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyXCTSXWUANAABMC-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.59
Rot. Bonds5

About 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide

5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 32607489) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID32607489
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1csc(Br)c1
InChIInChI=1S/C14H14BrNO2S/c1-18-8-11-5-3-2-4-10(11)7-16-14(17)12-6-13(15)19-9-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyXCTSXWUANAABMC-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide (CID 32607489) is 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide is COCc1ccccc1CNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is XCTSXWUANAABMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-18-8-11-5-3-2-4-10(11)7-16-14(17)12-6-13(15)19-9-12/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 32607489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).