3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide

C12H10BrNO2S2 — CID 58248831

IUPAC3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)CNC(=O)c2sccc2Br)s1
InChIInChI=1S/C12H10BrNO2S2/c1-7-2-3-10(18-7)9(15)6-14-12(16)11-8(13)4-5-17-11/h2-5H,6H2,1H3,(H,14,16)
InChIKeyMZNKXDFMUTTWFV-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.49
Rot. Bonds4

About 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide

3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 58248831) has the molecular formula C12H10BrNO2S2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID58248831
Molecular FormulaC12H10BrNO2S2
Molecular Weight344.26 g/mol
Exact Mass342.93
IUPAC Name3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)CNC(=O)c2sccc2Br)s1
InChIInChI=1S/C12H10BrNO2S2/c1-7-2-3-10(18-7)9(15)6-14-12(16)11-8(13)4-5-17-11/h2-5H,6H2,1H3,(H,14,16)
InChIKeyMZNKXDFMUTTWFV-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-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 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide (CID 58248831) is 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)CNC(=O)c2sccc2Br)s1.
What is the InChIKey of 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is MZNKXDFMUTTWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S2/c1-7-2-3-10(18-7)9(15)6-14-12(16)11-8(13)4-5-17-11/h2-5H,6H2,1H3,(H,14,16).
What are the key properties of 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 344.26 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 58248831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).