5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide

C13H20BrNOS — CID 107908544

IUPAC5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
SMILESCc1cc(C(C)NC(=O)CCCCBr)c(C)s1
InChIInChI=1S/C13H20BrNOS/c1-9-8-12(11(3)17-9)10(2)15-13(16)6-4-5-7-14/h8,10H,4-7H2,1-3H3,(H,15,16)
InChIKeyABDXMZBOGWQHKU-UHFFFAOYSA-N
MW318.28 g/mol
LogP4.11
Rot. Bonds6

About 5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide

5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide (PubChem CID 107908544) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
PubChem CID107908544
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
SMILESCc1cc(C(C)NC(=O)CCCCBr)c(C)s1
InChIInChI=1S/C13H20BrNOS/c1-9-8-12(11(3)17-9)10(2)15-13(16)6-4-5-7-14/h8,10H,4-7H2,1-3H3,(H,15,16)
InChIKeyABDXMZBOGWQHKU-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.11
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-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 47297770
3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
CID 75514559
2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 79473033
2-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569421
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 107910353
5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentanoic acid
CID 103244595
5-bromo-N-(3-methylbutan-2-yl)pentanamide
CID 107907391
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
CID 75439947
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936594

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide (CID 107908544) is 5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide is Cc1cc(C(C)NC(=O)CCCCBr)c(C)s1.
What is the InChIKey of 5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide?
The InChIKey is ABDXMZBOGWQHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-9-8-12(11(3)17-9)10(2)15-13(16)6-4-5-7-14/h8,10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide?
5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide has a molecular weight of 318.28 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide is sourced from PubChem (CID 107908544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).