N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide

C10H14BrNO2S — CID 106245034

IUPACN-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
SMILESCOCC(Br)CCNC(=O)c1cccs1
InChIInChI=1S/C10H14BrNO2S/c1-14-7-8(11)4-5-12-10(13)9-3-2-6-15-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,13)
InChIKeyKQBILMOHMZWLMP-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.28
Rot. Bonds6

About N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide

N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide (PubChem CID 106245034) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
PubChem CID106245034
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
SMILESCOCC(Br)CCNC(=O)c1cccs1
InChIInChI=1S/C10H14BrNO2S/c1-14-7-8(11)4-5-12-10(13)9-3-2-6-15-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,13)
InChIKeyKQBILMOHMZWLMP-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide
CID 106244834
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
N-(3-bromo-4-methoxybutyl)-2-hydroxy-3-methylbenzamide
CID 106245322
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946
N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
CID 106245143
N-[3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 110941288

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide (CID 106245034) is N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide is COCC(Br)CCNC(=O)c1cccs1.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide?
The InChIKey is KQBILMOHMZWLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-14-7-8(11)4-5-12-10(13)9-3-2-6-15-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,13).
What are the key properties of N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide?
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide is sourced from PubChem (CID 106245034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).