4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide

C11H14BrNO2S — CID 6464670

IUPAC4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cs1)C1CCCO1
InChIInChI=1S/C11H14BrNO2S/c1-7(9-3-2-4-15-9)13-11(14)10-5-8(12)6-16-10/h5-7,9H,2-4H2,1H3,(H,13,14)
InChIKeyCWAZGXAXAAZIOQ-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.81
Rot. Bonds3

About 4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide

4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 6464670) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID6464670
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cs1)C1CCCO1
InChIInChI=1S/C11H14BrNO2S/c1-7(9-3-2-4-15-9)13-11(14)10-5-8(12)6-16-10/h5-7,9H,2-4H2,1H3,(H,13,14)
InChIKeyCWAZGXAXAAZIOQ-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
4-bromo-5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 2971430
N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 6466209
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
N-[1-(oxolan-2-yl)ethyl]-5-propylthiophene-3-carboxamide
CID 6469294
5-Bromo-N-((tetrahydrofuran-2-yl)methyl)thiophene-2-carboxamide
CID 17191115
4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 17404815
5-bromo-N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 2971594
5-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-3-thiophenecarboxamide
CID 2971322
4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 2225534
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 6469551
N-{[(R)-3-methoxytetrahydro-3-thienyl]methyl}-4-bromo-2-thenamide
CID 100701966

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide (CID 6464670) is 4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cc(Br)cs1)C1CCCO1.
What is the InChIKey of 4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CWAZGXAXAAZIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-7(9-3-2-4-15-9)13-11(14)10-5-8(12)6-16-10/h5-7,9H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 6464670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).