5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide

C12H12BrNOS2 — CID 79929799

IUPAC5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCc2ccsc2)sc1Br
InChIInChI=1S/C12H12BrNOS2/c1-8-6-10(17-11(8)13)12(15)14-4-2-9-3-5-16-7-9/h3,5-7H,2,4H2,1H3,(H,14,15)
InChIKeyNANBGAMAOYSLNT-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.85
Rot. Bonds4

About 5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide (PubChem CID 79929799) has the molecular formula C12H12BrNOS2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
PubChem CID79929799
Molecular FormulaC12H12BrNOS2
Molecular Weight330.27 g/mol
Exact Mass328.95
IUPAC Name5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCc2ccsc2)sc1Br
InChIInChI=1S/C12H12BrNOS2/c1-8-6-10(17-11(8)13)12(15)14-4-2-9-3-5-16-7-9/h3,5-7H,2,4H2,1H3,(H,14,15)
InChIKeyNANBGAMAOYSLNT-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067
N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 79964784
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118
5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491639
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
CID 103890273
5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
CID 79986981
N-(3-azidopropyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79996237

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide (CID 79929799) is 5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCCc2ccsc2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is NANBGAMAOYSLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS2/c1-8-6-10(17-11(8)13)12(15)14-4-2-9-3-5-16-7-9/h3,5-7H,2,4H2,1H3,(H,14,15).
What are the key properties of 5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 330.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79929799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).