2-bromo-N-thiophen-3-ylfuran-3-carboxamide

C9H6BrNO2S — CID 106854104

IUPAC2-bromo-N-thiophen-3-ylfuran-3-carboxamide
SMILESO=C(Nc1ccsc1)c1ccoc1Br
InChIInChI=1S/C9H6BrNO2S/c10-8-7(1-3-13-8)9(12)11-6-2-4-14-5-6/h1-5H,(H,11,12)
InChIKeyNNAKRUCWWGDHNX-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.36
Rot. Bonds2

About 2-bromo-N-thiophen-3-ylfuran-3-carboxamide

2-bromo-N-thiophen-3-ylfuran-3-carboxamide (PubChem CID 106854104) has the molecular formula C9H6BrNO2S and a molecular weight of 272.12 g/mol. Its IUPAC name is 2-bromo-N-thiophen-3-ylfuran-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-thiophen-3-ylfuran-3-carboxamide
PubChem CID106854104
Molecular FormulaC9H6BrNO2S
Molecular Weight272.12 g/mol
Exact Mass270.93
IUPAC Name2-bromo-N-thiophen-3-ylfuran-3-carboxamide
SMILESO=C(Nc1ccsc1)c1ccoc1Br
InChIInChI=1S/C9H6BrNO2S/c10-8-7(1-3-13-8)9(12)11-6-2-4-14-5-6/h1-5H,(H,11,12)
InChIKeyNNAKRUCWWGDHNX-UHFFFAOYSA-N
XLogP3.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-thiophen-3-ylthiophene-3-carboxamide
CID 164662365
N-(4-acetylphenyl)-2-bromofuran-3-carboxamide
CID 106852251
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
2-bromo-N-(2-bromophenyl)furan-3-carboxamide
CID 106852264
2-bromo-N-(6-bromonaphthalen-2-yl)furan-3-carboxamide
CID 106852301
2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
CID 106852624
4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide
CID 107031810
2-bromo-N-(thiadiazol-5-yl)furan-3-carboxamide
CID 106854439
2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide
CID 106854440
2-bromo-N-[4-(2-chloroethyl)phenyl]furan-3-carboxamide
CID 106856118
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
CID 106856525

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-thiophen-3-ylfuran-3-carboxamide?
The IUPAC name of 2-bromo-N-thiophen-3-ylfuran-3-carboxamide (CID 106854104) is 2-bromo-N-thiophen-3-ylfuran-3-carboxamide.
What is the SMILES notation for 2-bromo-N-thiophen-3-ylfuran-3-carboxamide?
The canonical SMILES for 2-bromo-N-thiophen-3-ylfuran-3-carboxamide is O=C(Nc1ccsc1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-thiophen-3-ylfuran-3-carboxamide?
The InChIKey is NNAKRUCWWGDHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2S/c10-8-7(1-3-13-8)9(12)11-6-2-4-14-5-6/h1-5H,(H,11,12).
What are the key properties of 2-bromo-N-thiophen-3-ylfuran-3-carboxamide?
2-bromo-N-thiophen-3-ylfuran-3-carboxamide has a molecular weight of 272.12 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-thiophen-3-ylfuran-3-carboxamide is sourced from PubChem (CID 106854104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).