2,5-dibromo-N,N-diethylthiophene-3-carboxamide

C9H11Br2NOS — CID 103672324

IUPAC2,5-dibromo-N,N-diethylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H11Br2NOS/c1-3-12(4-2)9(13)6-5-7(10)14-8(6)11/h5H,3-4H2,1-2H3
InChIKeyINNBCPHTFCGVKS-UHFFFAOYSA-N
MW341.07 g/mol
LogP3.76
Rot. Bonds3

About 2,5-dibromo-N,N-diethylthiophene-3-carboxamide

2,5-dibromo-N,N-diethylthiophene-3-carboxamide (PubChem CID 103672324) has the molecular formula C9H11Br2NOS and a molecular weight of 341.07 g/mol. Its IUPAC name is 2,5-dibromo-N,N-diethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N,N-diethylthiophene-3-carboxamide
PubChem CID103672324
Molecular FormulaC9H11Br2NOS
Molecular Weight341.07 g/mol
Exact Mass338.89
IUPAC Name2,5-dibromo-N,N-diethylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H11Br2NOS/c1-3-12(4-2)9(13)6-5-7(10)14-8(6)11/h5H,3-4H2,1-2H3
InChIKeyINNBCPHTFCGVKS-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.07
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide
CID 107966256
2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
CID 114021292
2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide
CID 114263913
N-(2-amino-2-sulfanylideneethyl)-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 114021243
2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide
CID 107962236
2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 107966465
2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
CID 103918751
N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 107959325
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
CID 107965873
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
CID 43795311
2-bromo-1-(2,5-dibromothiophen-3-yl)butan-1-one
CID 63386483
2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
CID 107963808

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N,N-diethylthiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N,N-diethylthiophene-3-carboxamide (CID 103672324) is 2,5-dibromo-N,N-diethylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N,N-diethylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N,N-diethylthiophene-3-carboxamide is CCN(CC)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N,N-diethylthiophene-3-carboxamide?
The InChIKey is INNBCPHTFCGVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NOS/c1-3-12(4-2)9(13)6-5-7(10)14-8(6)11/h5H,3-4H2,1-2H3.
What are the key properties of 2,5-dibromo-N,N-diethylthiophene-3-carboxamide?
2,5-dibromo-N,N-diethylthiophene-3-carboxamide has a molecular weight of 341.07 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N,N-diethylthiophene-3-carboxamide is sourced from PubChem (CID 103672324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).