N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide

C10H14BrNO2S — CID 79210221

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide
SMILESO=C(CCCCO)NCc1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c11-9-5-4-8(15-9)7-12-10(14)3-1-2-6-13/h4-5,13H,1-3,6-7H2,(H,12,14)
InChIKeyPXFXLOVRZRTWEG-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.29
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide

N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide (PubChem CID 79210221) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide
PubChem CID79210221
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide
SMILESO=C(CCCCO)NCc1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c11-9-5-4-8(15-9)7-12-10(14)3-1-2-6-13/h4-5,13H,1-3,6-7H2,(H,12,14)
InChIKeyPXFXLOVRZRTWEG-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 61011624
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
N-[(5-bromothiophen-2-yl)methyl]-4-ethoxybutanamide
CID 112728063
5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide
CID 82852008
N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 32774203
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
tert-butyl N-[4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutyl]carbamate
CID 55590483
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321590
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61328653
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide (CID 79210221) is N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide is O=C(CCCCO)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide?
The InChIKey is PXFXLOVRZRTWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c11-9-5-4-8(15-9)7-12-10(14)3-1-2-6-13/h4-5,13H,1-3,6-7H2,(H,12,14).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide?
N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide has a molecular weight of 292.20 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide is sourced from PubChem (CID 79210221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).