N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide

C11H14INO2S — CID 103855719

IUPACN-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide
SMILESC=CCCOCCNC(=O)c1csc(I)c1
InChIInChI=1S/C11H14INO2S/c1-2-3-5-15-6-4-13-11(14)9-7-10(12)16-8-9/h2,7-8H,1,3-6H2,(H,13,14)
InChIKeyJZLYBXVFQJYOGB-UHFFFAOYSA-N
MW351.21 g/mol
LogP2.68
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide

N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide (PubChem CID 103855719) has the molecular formula C11H14INO2S and a molecular weight of 351.21 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide
PubChem CID103855719
Molecular FormulaC11H14INO2S
Molecular Weight351.21 g/mol
Exact Mass350.98
IUPAC NameN-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide
SMILESC=CCCOCCNC(=O)c1csc(I)c1
InChIInChI=1S/C11H14INO2S/c1-2-3-5-15-6-4-13-11(14)9-7-10(12)16-8-9/h2,7-8H,1,3-6H2,(H,13,14)
InChIKeyJZLYBXVFQJYOGB-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide
CID 113339522
4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
CID 103874570
N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide
CID 103855622
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
CID 103890690
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
N-(4-bromobutyl)-5-iodothiophene-3-carboxamide
CID 106845793
N-(3-bromopropyl)-5-iodothiophene-3-carboxamide
CID 79693807
2-bromo-N-(2-but-3-enoxyethyl)pyridine-4-carboxamide
CID 103855736
N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide
CID 103855610
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
N-but-3-ynyl-5-iodothiophene-3-carboxamide
CID 78960026
methyl 4-[(5-iodothiophene-3-carbonyl)amino]butanoate
CID 78950176

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide (CID 103855719) is N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide is C=CCCOCCNC(=O)c1csc(I)c1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide?
The InChIKey is JZLYBXVFQJYOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2S/c1-2-3-5-15-6-4-13-11(14)9-7-10(12)16-8-9/h2,7-8H,1,3-6H2,(H,13,14).
What are the key properties of N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide?
N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide has a molecular weight of 351.21 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 103855719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).