2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide

C11H17BrN2OS — CID 123966125

IUPAC2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1c(N)sc(Br)c1C
InChIInChI=1S/C11H17BrN2OS/c1-5-11(3,4)14-10(15)7-6(2)8(12)16-9(7)13/h5,13H2,1-4H3,(H,14,15)
InChIKeyVWENUJHECLTBRL-UHFFFAOYSA-N
MW305.24 g/mol
LogP3.32
Rot. Bonds3

About 2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide

2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 123966125) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
PubChem CID123966125
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1c(N)sc(Br)c1C
InChIInChI=1S/C11H17BrN2OS/c1-5-11(3,4)14-10(15)7-6(2)8(12)16-9(7)13/h5,13H2,1-4H3,(H,14,15)
InChIKeyVWENUJHECLTBRL-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide (CID 123966125) is 2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide is CCC(C)(C)NC(=O)c1c(N)sc(Br)c1C.
What is the InChIKey of 2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is VWENUJHECLTBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-5-11(3,4)14-10(15)7-6(2)8(12)16-9(7)13/h5,13H2,1-4H3,(H,14,15).
What are the key properties of 2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide?
2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 305.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 123966125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).