N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide

C11H15BrN2O2S — CID 103896394

IUPACN-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCCC(N)=O)sc1Br
InChIInChI=1S/C11H15BrN2O2S/c1-7-6-8(17-10(7)12)11(16)14-5-3-2-4-9(13)15/h6H,2-5H2,1H3,(H2,13,15)(H,14,16)
InChIKeyVGONGZKTBHNLOC-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.20
Rot. Bonds6

About N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide

N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide (PubChem CID 103896394) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
PubChem CID103896394
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC NameN-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCCC(N)=O)sc1Br
InChIInChI=1S/C11H15BrN2O2S/c1-7-6-8(17-10(7)12)11(16)14-5-3-2-4-9(13)15/h6H,2-5H2,1H3,(H2,13,15)(H,14,16)
InChIKeyVGONGZKTBHNLOC-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491639
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
N-(3-azidopropyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79996237
N-(5-amino-5-oxopentyl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106240566
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 79964430
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
CID 79996515
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 115683330
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide (CID 103896394) is N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NCCCCC(N)=O)sc1Br.
What is the InChIKey of N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide?
The InChIKey is VGONGZKTBHNLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-7-6-8(17-10(7)12)11(16)14-5-3-2-4-9(13)15/h6H,2-5H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide?
N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide has a molecular weight of 319.22 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103896394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).