4-bromo-N-cyclopropylthiophene-2-carboxamide

C8H8BrNOS — CID 110763428

IUPAC4-bromo-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1cc(Br)cs1
InChIInChI=1S/C8H8BrNOS/c9-5-3-7(12-4-5)8(11)10-6-1-2-6/h3-4,6H,1-2H2,(H,10,11)
InChIKeyHNYCGBJSQLUOIZ-UHFFFAOYSA-N
MW246.13 g/mol
LogP2.40
Rot. Bonds2

About 4-bromo-N-cyclopropylthiophene-2-carboxamide

4-bromo-N-cyclopropylthiophene-2-carboxamide (PubChem CID 110763428) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is 4-bromo-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropylthiophene-2-carboxamide
PubChem CID110763428
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC Name4-bromo-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1cc(Br)cs1
InChIInChI=1S/C8H8BrNOS/c9-5-3-7(12-4-5)8(11)10-6-1-2-6/h3-4,6H,1-2H2,(H,10,11)
InChIKeyHNYCGBJSQLUOIZ-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 25235995
2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide
CID 119477780
N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride
CID 119600817
2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 67019715
4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
CID 154795317
4-bromo-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 129356422
4-bromo-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 91628987
N-cyclopentyl-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690066
1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559386
2-(4-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide
CID 55048105
4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
CID 19503287

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropylthiophene-2-carboxamide (CID 110763428) is 4-bromo-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropylthiophene-2-carboxamide is O=C(NC1CC1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is HNYCGBJSQLUOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS/c9-5-3-7(12-4-5)8(11)10-6-1-2-6/h3-4,6H,1-2H2,(H,10,11).
What are the key properties of 4-bromo-N-cyclopropylthiophene-2-carboxamide?
4-bromo-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 246.13 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 110763428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).