5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide

C12H12BrNOS2 — CID 61343707

IUPAC5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2csc(Br)c2)s1
InChIInChI=1S/C12H12BrNOS2/c1-7-3-4-10(17-7)8(2)14-12(15)9-5-11(13)16-6-9/h3-6,8H,1-2H3,(H,14,15)
InChIKeyDROJFLBUSQMBMV-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.37
Rot. Bonds3

About 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide

5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide (PubChem CID 61343707) has the molecular formula C12H12BrNOS2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
PubChem CID61343707
Molecular FormulaC12H12BrNOS2
Molecular Weight330.27 g/mol
Exact Mass328.95
IUPAC Name5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2csc(Br)c2)s1
InChIInChI=1S/C12H12BrNOS2/c1-7-3-4-10(17-7)8(2)14-12(15)9-5-11(13)16-6-9/h3-6,8H,1-2H3,(H,14,15)
InChIKeyDROJFLBUSQMBMV-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 102851500
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
CID 63523702
5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide
CID 63525114
2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 115678760
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 94204034
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471765
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78878462
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide (CID 61343707) is 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide is Cc1ccc(C(C)NC(=O)c2csc(Br)c2)s1.
What is the InChIKey of 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is DROJFLBUSQMBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS2/c1-7-3-4-10(17-7)8(2)14-12(15)9-5-11(13)16-6-9/h3-6,8H,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide?
5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 330.27 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 61343707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).