5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide

C10H13Br2NOS — CID 141389322

IUPAC5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide
SMILESO=C(CCCCBr)NCc1csc(Br)c1
InChIInChI=1S/C10H13Br2NOS/c11-4-2-1-3-10(14)13-6-8-5-9(12)15-7-8/h5,7H,1-4,6H2,(H,13,14)
InChIKeyVLRMAQGNJMAINN-UHFFFAOYSA-N
MW355.10 g/mol
LogP3.69
Rot. Bonds6

About 5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide

5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide (PubChem CID 141389322) has the molecular formula C10H13Br2NOS and a molecular weight of 355.10 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide
PubChem CID141389322
Molecular FormulaC10H13Br2NOS
Molecular Weight355.10 g/mol
Exact Mass352.91
IUPAC Name5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide
SMILESO=C(CCCCBr)NCc1csc(Br)c1
InChIInChI=1S/C10H13Br2NOS/c11-4-2-1-3-10(14)13-6-8-5-9(12)15-7-8/h5,7H,1-4,6H2,(H,13,14)
InChIKeyVLRMAQGNJMAINN-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392
5-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pentanamide
CID 107910785
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
4-[(5-bromothiophen-3-yl)methylamino]butanoic acid
CID 43473757
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 114014911
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 107909826
2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975664
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
(2S)-2-amino-N-[(5-bromothiophen-3-yl)methyl]butanamide;hydrochloride
CID 119294090
(2R)-N-[(5-bromothiophen-3-yl)methyl]-2-(carbamoylamino)-3-methylbutanamide
CID 94025627
5-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pentanamide
CID 107907654

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide (CID 141389322) is 5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide is O=C(CCCCBr)NCc1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide?
The InChIKey is VLRMAQGNJMAINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NOS/c11-4-2-1-3-10(14)13-6-8-5-9(12)15-7-8/h5,7H,1-4,6H2,(H,13,14).
What are the key properties of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide?
5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide has a molecular weight of 355.10 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide is sourced from PubChem (CID 141389322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).