3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide

C10H12BrNOS — CID 47221879

IUPAC3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCC1)c1sccc1Br
InChIInChI=1S/C10H12BrNOS/c11-8-4-5-14-9(8)10(13)12-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,13)
InChIKeyQOBDSQWISJKHCI-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.04
Rot. Bonds3

About 3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide

3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide (PubChem CID 47221879) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
PubChem CID47221879
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCC1)c1sccc1Br
InChIInChI=1S/C10H12BrNOS/c11-8-4-5-14-9(8)10(13)12-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,13)
InChIKeyQOBDSQWISJKHCI-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide (CID 47221879) is 3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide is O=C(NCC1CCC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide?
The InChIKey is QOBDSQWISJKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c11-8-4-5-14-9(8)10(13)12-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,13).
What are the key properties of 3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide?
3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide has a molecular weight of 274.18 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 47221879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).