5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide

C10H12BrNO2S — CID 47182858

IUPAC5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCOC1)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO2S/c11-9-2-1-8(15-9)10(13)12-5-7-3-4-14-6-7/h1-2,7H,3-6H2,(H,12,13)
InChIKeyLSZPIQDJYDAJLW-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.28
Rot. Bonds3

About 5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide

5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 47182858) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
PubChem CID47182858
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCOC1)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO2S/c11-9-2-1-8(15-9)10(13)12-5-7-3-4-14-6-7/h1-2,7H,3-6H2,(H,12,13)
InChIKeyLSZPIQDJYDAJLW-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide (CID 47182858) is 5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide is O=C(NCC1CCOC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is LSZPIQDJYDAJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-9-2-1-8(15-9)10(13)12-5-7-3-4-14-6-7/h1-2,7H,3-6H2,(H,12,13).
What are the key properties of 5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide?
5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 47182858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).