4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide

C15H11BrN2O2S — CID 10133299

IUPAC4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCc1c(C(N)=O)sc2cncc(Oc3ccc(Br)cc3)c12
InChIInChI=1S/C15H11BrN2O2S/c1-8-13-11(20-10-4-2-9(16)3-5-10)6-18-7-12(13)21-14(8)15(17)19/h2-7H,1H3,(H2,17,19)
InChIKeyDDGBMHSNGYMLDX-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.26
Rot. Bonds3

About 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide

4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10133299) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID10133299
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Name4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCc1c(C(N)=O)sc2cncc(Oc3ccc(Br)cc3)c12
InChIInChI=1S/C15H11BrN2O2S/c1-8-13-11(20-10-4-2-9(16)3-5-10)6-18-7-12(13)21-14(8)15(17)19/h2-7H,1H3,(H2,17,19)
InChIKeyDDGBMHSNGYMLDX-UHFFFAOYSA-N
XLogP4.26
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide (CID 10133299) is 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide is Cc1c(C(N)=O)sc2cncc(Oc3ccc(Br)cc3)c12.
What is the InChIKey of 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is DDGBMHSNGYMLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c1-8-13-11(20-10-4-2-9(16)3-5-10)6-18-7-12(13)21-14(8)15(17)19/h2-7H,1H3,(H2,17,19).
What are the key properties of 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide?
4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-3-methylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10133299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).