N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide

C12H18BrNOS — CID 86918398

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C12H18BrNOS/c1-9(2)3-6-12(15)14-8-7-10-4-5-11(13)16-10/h4-5,9H,3,6-8H2,1-2H3,(H,14,15)
InChIKeyYYQDWXRXTMJFLH-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.61
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide

N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide (PubChem CID 86918398) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
PubChem CID86918398
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C12H18BrNOS/c1-9(2)3-6-12(15)14-8-7-10-4-5-11(13)16-10/h4-5,9H,3,6-8H2,1-2H3,(H,14,15)
InChIKeyYYQDWXRXTMJFLH-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 29306500
4-[3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182566
N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide
CID 104696927
(2R)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 103994680
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 30770191
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
CID 106048077
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18267056
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide (CID 86918398) is N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide is CC(C)CCC(=O)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide?
The InChIKey is YYQDWXRXTMJFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-9(2)3-6-12(15)14-8-7-10-4-5-11(13)16-10/h4-5,9H,3,6-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide has a molecular weight of 304.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 86918398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).