5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide

C12H10BrNOS — CID 841255

IUPAC5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H10BrNOS/c1-8-2-4-9(5-3-8)14-12(15)10-6-7-11(13)16-10/h2-7H,1H3,(H,14,15)
InChIKeyDYBDNRFTISXDQK-UHFFFAOYSA-N
MW296.19 g/mol
LogP4.07
Rot. Bonds2

About 5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide

5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 841255) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID841255
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H10BrNOS/c1-8-2-4-9(5-3-8)14-12(15)10-6-7-11(13)16-10/h2-7H,1H3,(H,14,15)
InChIKeyDYBDNRFTISXDQK-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(4-methylphenyl)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 5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide (CID 841255) is 5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is DYBDNRFTISXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-8-2-4-9(5-3-8)14-12(15)10-6-7-11(13)16-10/h2-7H,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide?
5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 296.19 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 841255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).