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

C11H14BrNO2S — CID 2971594

IUPAC5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C1CCCO1
InChIInChI=1S/C11H14BrNO2S/c1-7(8-3-2-6-15-8)13-11(14)9-4-5-10(12)16-9/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)
InChIKeyHIOQDZBEJGRRTQ-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.81
Rot. Bonds3

About 5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide

5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 2971594) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID2971594
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C1CCCO1
InChIInChI=1S/C11H14BrNO2S/c1-7(8-3-2-6-15-8)13-11(14)9-4-5-10(12)16-9/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)
InChIKeyHIOQDZBEJGRRTQ-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
Ethyl (5-bromothiophene-2-carbonyl)glycinate
CID 2225106
4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 6464670
5-chloro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 2970308
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
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-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 51078105
5-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-3-thiophenecarboxamide
CID 2971322
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 6469551

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide (CID 2971594) is 5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)C1CCCO1.
What is the InChIKey of 5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is HIOQDZBEJGRRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-7(8-3-2-6-15-8)13-11(14)9-4-5-10(12)16-9/h4-5,7-8H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
5-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 5-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2971594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).