4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide

C8H9Br2NOS — CID 7534835

IUPAC4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H9Br2NOS/c1-4(2)11-8(12)6-3-5(9)7(10)13-6/h3-4H,1-2H3,(H,11,12)
InChIKeyHWGLSQCNBJVNTH-UHFFFAOYSA-N
MW327.04 g/mol
LogP3.41
Rot. Bonds2

About 4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide

4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 7534835) has the molecular formula C8H9Br2NOS and a molecular weight of 327.04 g/mol. Its IUPAC name is 4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide
PubChem CID7534835
Molecular FormulaC8H9Br2NOS
Molecular Weight327.04 g/mol
Exact Mass324.88
IUPAC Name4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H9Br2NOS/c1-4(2)11-8(12)6-3-5(9)7(10)13-6/h3-4H,1-2H3,(H,11,12)
InChIKeyHWGLSQCNBJVNTH-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.04
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
4-bromo-5-ethyl-N-(1-methyl-4-piperidinyl)-2-thiophenecarboxamide
CID 1247737
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
CID 2309203
5-bromo-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]thiophene-2-carboxamide
CID 90644696
5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide
CID 1247026
5-bromo-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
CID 4655359
5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 1245660
1-[(5-Bromo-2-thienyl)carbonyl]pyrrolidine
CID 1246561
4-bromo-5-ethyl-N-methylthiophene-2-carboxamide
CID 1245565
5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide
CID 4989136
5-bromo-N-[4-[3-[(5-bromothiophene-2-carbonyl)amino]propylamino]butyl]thiophene-2-carboxamide
CID 145951692
N-butylthiophene-2-carboxamide
CID 4278024

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide (CID 7534835) is 4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide is CC(C)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is HWGLSQCNBJVNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NOS/c1-4(2)11-8(12)6-3-5(9)7(10)13-6/h3-4H,1-2H3,(H,11,12).
What are the key properties of 4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide?
4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 327.04 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 7534835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).