4,5-dibromo-N-tert-butylthiophene-2-carboxamide

C9H11Br2NOS — CID 15790561

IUPAC4,5-dibromo-N-tert-butylthiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H11Br2NOS/c1-9(2,3)12-8(13)6-4-5(10)7(11)14-6/h4H,1-3H3,(H,12,13)
InChIKeyDLDYVFUVHHMTAF-UHFFFAOYSA-N
MW341.07 g/mol
LogP3.80
Rot. Bonds1

About 4,5-dibromo-N-tert-butylthiophene-2-carboxamide

4,5-dibromo-N-tert-butylthiophene-2-carboxamide (PubChem CID 15790561) has the molecular formula C9H11Br2NOS and a molecular weight of 341.07 g/mol. Its IUPAC name is 4,5-dibromo-N-tert-butylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-tert-butylthiophene-2-carboxamide
PubChem CID15790561
Molecular FormulaC9H11Br2NOS
Molecular Weight341.07 g/mol
Exact Mass338.89
IUPAC Name4,5-dibromo-N-tert-butylthiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H11Br2NOS/c1-9(2,3)12-8(13)6-4-5(10)7(11)14-6/h4H,1-3H3,(H,12,13)
InChIKeyDLDYVFUVHHMTAF-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.07
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-tert-butylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-tert-butylthiophene-2-carboxamide (CID 15790561) is 4,5-dibromo-N-tert-butylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-tert-butylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-tert-butylthiophene-2-carboxamide is CC(C)(C)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-tert-butylthiophene-2-carboxamide?
The InChIKey is DLDYVFUVHHMTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NOS/c1-9(2,3)12-8(13)6-4-5(10)7(11)14-6/h4H,1-3H3,(H,12,13).
What are the key properties of 4,5-dibromo-N-tert-butylthiophene-2-carboxamide?
4,5-dibromo-N-tert-butylthiophene-2-carboxamide has a molecular weight of 341.07 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-tert-butylthiophene-2-carboxamide is sourced from PubChem (CID 15790561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).