4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide

C12H12BrNO2S2 — CID 86264388

IUPAC4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide
SMILESCC(O)(CNC(=O)c1cc(Br)cs1)c1cccs1
InChIInChI=1S/C12H12BrNO2S2/c1-12(16,10-3-2-4-17-10)7-14-11(15)9-5-8(13)6-18-9/h2-6,16H,7H2,1H3,(H,14,15)
InChIKeyQUGIFXKCASIDLZ-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.21
Rot. Bonds4

About 4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide

4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide (PubChem CID 86264388) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide
PubChem CID86264388
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC Name4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide
SMILESCC(O)(CNC(=O)c1cc(Br)cs1)c1cccs1
InChIInChI=1S/C12H12BrNO2S2/c1-12(16,10-3-2-4-17-10)7-14-11(15)9-5-8(13)6-18-9/h2-6,16H,7H2,1H3,(H,14,15)
InChIKeyQUGIFXKCASIDLZ-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide (CID 86264388) is 4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide is CC(O)(CNC(=O)c1cc(Br)cs1)c1cccs1.
What is the InChIKey of 4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide?
The InChIKey is QUGIFXKCASIDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c1-12(16,10-3-2-4-17-10)7-14-11(15)9-5-8(13)6-18-9/h2-6,16H,7H2,1H3,(H,14,15).
What are the key properties of 4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide?
4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide has a molecular weight of 346.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 86264388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).