5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

C11H15BrN2OS — CID 55029116

IUPAC5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c12-10-4-3-9(16-10)11(15)13-5-8-14-6-1-2-7-14/h3-4H,1-2,5-8H2,(H,13,15)
InChIKeyUQAIINHRRGXXTP-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.34
Rot. Bonds4

About 5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 55029116) has the molecular formula C11H15BrN2OS and a molecular weight of 303.22 g/mol. Its IUPAC name is 5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID55029116
Molecular FormulaC11H15BrN2OS
Molecular Weight303.22 g/mol
Exact Mass302.01
IUPAC Name5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c12-10-4-3-9(16-10)11(15)13-5-8-14-6-1-2-7-14/h3-4H,1-2,5-8H2,(H,13,15)
InChIKeyUQAIINHRRGXXTP-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 47250893
N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 2952427
5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 79965307
5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 55835114
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 81483299
5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 55139382
5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 61073693
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide
CID 103842230
5-bromo-N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 44898878

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (CID 55029116) is 5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is O=C(NCCN1CCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is UQAIINHRRGXXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-10-4-3-9(16-10)11(15)13-5-8-14-6-1-2-7-14/h3-4H,1-2,5-8H2,(H,13,15).
What are the key properties of 5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 303.22 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 55029116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).