N-(4-bromothiophen-2-yl)-4-hydroxybutanamide

C8H10BrNO2S — CID 115162800

IUPACN-(4-bromothiophen-2-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1cc(Br)cs1
InChIInChI=1S/C8H10BrNO2S/c9-6-4-8(13-5-6)10-7(12)2-1-3-11/h4-5,11H,1-3H2,(H,10,12)
InChIKeyNAEHCXJONWNGMJ-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.22
Rot. Bonds4

About N-(4-bromothiophen-2-yl)-4-hydroxybutanamide

N-(4-bromothiophen-2-yl)-4-hydroxybutanamide (PubChem CID 115162800) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is N-(4-bromothiophen-2-yl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(4-bromothiophen-2-yl)-4-hydroxybutanamide
PubChem CID115162800
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC NameN-(4-bromothiophen-2-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1cc(Br)cs1
InChIInChI=1S/C8H10BrNO2S/c9-6-4-8(13-5-6)10-7(12)2-1-3-11/h4-5,11H,1-3H2,(H,10,12)
InChIKeyNAEHCXJONWNGMJ-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-4-hydroxybutan-1-one
CID 82480445
N-(4-bromothiophen-2-yl)-2-piperidin-4-ylacetamide
CID 115160642
3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide
CID 115180285
4-[(4-bromothiophen-2-yl)amino]butan-2-one
CID 115235409
N-(2-bromo-5-fluorophenyl)-4-hydroxybutanamide
CID 107638337
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide
CID 79198656
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
1-(4-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291002
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
4-[(4-bromothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165537
N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybutanamide
CID 107681679

Frequently Asked Questions

What is the IUPAC name of N-(4-bromothiophen-2-yl)-4-hydroxybutanamide?
The IUPAC name of N-(4-bromothiophen-2-yl)-4-hydroxybutanamide (CID 115162800) is N-(4-bromothiophen-2-yl)-4-hydroxybutanamide.
What is the SMILES notation for N-(4-bromothiophen-2-yl)-4-hydroxybutanamide?
The canonical SMILES for N-(4-bromothiophen-2-yl)-4-hydroxybutanamide is O=C(CCCO)Nc1cc(Br)cs1.
What is the InChIKey of N-(4-bromothiophen-2-yl)-4-hydroxybutanamide?
The InChIKey is NAEHCXJONWNGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c9-6-4-8(13-5-6)10-7(12)2-1-3-11/h4-5,11H,1-3H2,(H,10,12).
What are the key properties of N-(4-bromothiophen-2-yl)-4-hydroxybutanamide?
N-(4-bromothiophen-2-yl)-4-hydroxybutanamide has a molecular weight of 264.14 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromothiophen-2-yl)-4-hydroxybutanamide is sourced from PubChem (CID 115162800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).