N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide

C11H14BrNO2S — CID 110789726

IUPACN-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1cc(Br)cs1)C1CCCO1
InChIInChI=1S/C11H14BrNO2S/c12-8-6-9(16-7-8)3-4-13-11(14)10-2-1-5-15-10/h6-7,10H,1-5H2,(H,13,14)
InChIKeyLKLBLHIAXIXPQZ-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide

N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 110789726) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide
PubChem CID110789726
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC NameN-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1cc(Br)cs1)C1CCCO1
InChIInChI=1S/C11H14BrNO2S/c12-8-6-9(16-7-8)3-4-13-11(14)10-2-1-5-15-10/h6-7,10H,1-5H2,(H,13,14)
InChIKeyLKLBLHIAXIXPQZ-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
CID 103872325
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide
CID 91765036
5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43110787
N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110398155
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-2-carboxamide
CID 107487378
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
(2R)-N-but-3-enyloxolane-2-carboxamide
CID 104861411
(2R)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]oxane-2-carboxamide
CID 125160061
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
N'-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301714
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide
CID 110314737

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide (CID 110789726) is N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide is O=C(NCCc1cc(Br)cs1)C1CCCO1.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is LKLBLHIAXIXPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-8-6-9(16-7-8)3-4-13-11(14)10-2-1-5-15-10/h6-7,10H,1-5H2,(H,13,14).
What are the key properties of N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide?
N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110789726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).