5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide

C13H14BrNO3S — CID 111481159

IUPAC5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2csc(Br)c2)o1
InChIInChI=1S/C13H14BrNO3S/c1-8-3-4-10(18-8)13(2,17)7-15-12(16)9-5-11(14)19-6-9/h3-6,17H,7H2,1-2H3,(H,15,16)
InChIKeyKKSAGHIMAMIRQP-UHFFFAOYSA-N
MW344.23 g/mol
LogP3.05
Rot. Bonds4

About 5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide

5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide (PubChem CID 111481159) has the molecular formula C13H14BrNO3S and a molecular weight of 344.23 g/mol. Its IUPAC name is 5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide
PubChem CID111481159
Molecular FormulaC13H14BrNO3S
Molecular Weight344.23 g/mol
Exact Mass342.99
IUPAC Name5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2csc(Br)c2)o1
InChIInChI=1S/C13H14BrNO3S/c1-8-3-4-10(18-8)13(2,17)7-15-12(16)9-5-11(14)19-6-9/h3-6,17H,7H2,1-2H3,(H,15,16)
InChIKeyKKSAGHIMAMIRQP-UHFFFAOYSA-N
XLogP3.05
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 111481571
5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
CID 111483887
4-bromo-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 96570496
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methoxy-4-methylbenzamide
CID 111481052
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 111481518
1-ethyl-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]pyrazole-4-carboxamide
CID 111481472
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
CID 111912236
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide (CID 111481159) is 5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide is Cc1ccc(C(C)(O)CNC(=O)c2csc(Br)c2)o1.
What is the InChIKey of 5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide?
The InChIKey is KKSAGHIMAMIRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S/c1-8-3-4-10(18-8)13(2,17)7-15-12(16)9-5-11(14)19-6-9/h3-6,17H,7H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide?
5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide has a molecular weight of 344.23 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 111481159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).