2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide

C11H14BrNOS — CID 164654018

IUPAC2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide
SMILESCCC1(C)CC1NC(=O)c1ccsc1Br
InChIInChI=1S/C11H14BrNOS/c1-3-11(2)6-8(11)13-10(14)7-4-5-15-9(7)12/h4-5,8H,3,6H2,1-2H3,(H,13,14)
InChIKeyOPLUHQBWCDUHHC-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.43
Rot. Bonds3

About 2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide

2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide (PubChem CID 164654018) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide
PubChem CID164654018
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide
SMILESCCC1(C)CC1NC(=O)c1ccsc1Br
InChIInChI=1S/C11H14BrNOS/c1-3-11(2)6-8(11)13-10(14)7-4-5-15-9(7)12/h4-5,8H,3,6H2,1-2H3,(H,13,14)
InChIKeyOPLUHQBWCDUHHC-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide (CID 164654018) is 2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide is CCC1(C)CC1NC(=O)c1ccsc1Br.
What is the InChIKey of 2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide?
The InChIKey is OPLUHQBWCDUHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-3-11(2)6-8(11)13-10(14)7-4-5-15-9(7)12/h4-5,8H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide?
2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide has a molecular weight of 288.21 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide is sourced from PubChem (CID 164654018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).