N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide

C12H18BrNO2S — CID 107847519

IUPACN-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCCCCCBr)c1
InChIInChI=1S/C12H18BrNO2S/c1-16-10-8-11(17-9-10)12(15)14-7-5-3-2-4-6-13/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyIYUKGTGLRHRWBT-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.44
Rot. Bonds8

About N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide

N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide (PubChem CID 107847519) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
PubChem CID107847519
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC NameN-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCCCCCBr)c1
InChIInChI=1S/C12H18BrNO2S/c1-16-10-8-11(17-9-10)12(15)14-7-5-3-2-4-6-13/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyIYUKGTGLRHRWBT-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 113258486
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 103800830
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide
CID 81121283
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide (CID 107847519) is N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCCCCCCBr)c1.
What is the InChIKey of N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is IYUKGTGLRHRWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-16-10-8-11(17-9-10)12(15)14-7-5-3-2-4-6-13/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide?
N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 320.25 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 107847519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).