4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C12H11Br2NOS2 — CID 32581945

IUPAC4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H11Br2NOS2/c1-2-15(7-8-4-3-5-17-8)12(16)10-6-9(13)11(14)18-10/h3-6H,2,7H2,1H3
InChIKeyTXGTYHRWCJMYMO-UHFFFAOYSA-N
MW409.17 g/mol
LogP5.00
Rot. Bonds4

About 4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 32581945) has the molecular formula C12H11Br2NOS2 and a molecular weight of 409.17 g/mol. Its IUPAC name is 4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID32581945
Molecular FormulaC12H11Br2NOS2
Molecular Weight409.17 g/mol
Exact Mass406.86
IUPAC Name4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H11Br2NOS2/c1-2-15(7-8-4-3-5-17-8)12(16)10-6-9(13)11(14)18-10/h3-6H,2,7H2,1H3
InChIKeyTXGTYHRWCJMYMO-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.17
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-ethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 112725701
4,5-dibromo-N-[(3,4-difluorophenyl)methyl]-N-ethylthiophene-2-carboxamide
CID 112725711
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide
CID 33031977
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024588
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102993490
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 32581945) is 4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is CCN(Cc1cccs1)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is TXGTYHRWCJMYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NOS2/c1-2-15(7-8-4-3-5-17-8)12(16)10-6-9(13)11(14)18-10/h3-6H,2,7H2,1H3.
What are the key properties of 4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 409.17 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 32581945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).