N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide

C11H10BrNO2S — CID 18154853

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)c1ccco1
InChIInChI=1S/C11H10BrNO2S/c12-10-4-3-8(16-10)5-6-13-11(14)9-2-1-7-15-9/h1-4,7H,5-6H2,(H,13,14)
InChIKeyZIAYQNHAPVSGEG-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide (PubChem CID 18154853) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide
PubChem CID18154853
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)c1ccco1
InChIInChI=1S/C11H10BrNO2S/c12-10-4-3-8(16-10)5-6-13-11(14)9-2-1-7-15-9/h1-4,7H,5-6H2,(H,13,14)
InChIKeyZIAYQNHAPVSGEG-UHFFFAOYSA-N
XLogP3.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3-(chloromethyl)benzamide
CID 106033728
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
CID 110792461
N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111349578
3-(furan-2-carbonylamino)propanoic acid
CID 762504
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 106048013
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 106047985
N-(5-bromopentyl)furan-2-carboxamide
CID 107322078
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
5-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821434
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 30124717
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
CID 26082273

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide (CID 18154853) is N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide is O=C(NCCc1ccc(Br)s1)c1ccco1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is ZIAYQNHAPVSGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c12-10-4-3-8(16-10)5-6-13-11(14)9-2-1-7-15-9/h1-4,7H,5-6H2,(H,13,14).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 18154853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).