N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide

C15H24BrNOS — CID 54983909

IUPACN-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide
SMILESCC(CC(=O)N(C)Cc1csc(Br)c1)CC(C)(C)C
InChIInChI=1S/C15H24BrNOS/c1-11(8-15(2,3)4)6-14(18)17(5)9-12-7-13(16)19-10-12/h7,10-11H,6,8-9H2,1-5H3
InChIKeyQGPCPJJGVJMCEM-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.93
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide

N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide (PubChem CID 54983909) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide
PubChem CID54983909
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide
SMILESCC(CC(=O)N(C)Cc1csc(Br)c1)CC(C)(C)C
InChIInChI=1S/C15H24BrNOS/c1-11(8-15(2,3)4)6-14(18)17(5)9-12-7-13(16)19-10-12/h7,10-11H,6,8-9H2,1-5H3
InChIKeyQGPCPJJGVJMCEM-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide (CID 54983909) is N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide is CC(CC(=O)N(C)Cc1csc(Br)c1)CC(C)(C)C.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide?
The InChIKey is QGPCPJJGVJMCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-11(8-15(2,3)4)6-14(18)17(5)9-12-7-13(16)19-10-12/h7,10-11H,6,8-9H2,1-5H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide?
N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide has a molecular weight of 346.33 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N,3,5,5-tetramethylhexanamide is sourced from PubChem (CID 54983909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).