5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide

C8H8INO2S — CID 79692764

IUPAC5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
SMILESCC(=O)CNC(=O)c1csc(I)c1
InChIInChI=1S/C8H8INO2S/c1-5(11)3-10-8(12)6-2-7(9)13-4-6/h2,4H,3H2,1H3,(H,10,12)
InChIKeyZKNZFLVPIOBSLB-UHFFFAOYSA-N
MW309.13 g/mol
LogP1.67
Rot. Bonds3

About 5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide

5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide (PubChem CID 79692764) has the molecular formula C8H8INO2S and a molecular weight of 309.13 g/mol. Its IUPAC name is 5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
PubChem CID79692764
Molecular FormulaC8H8INO2S
Molecular Weight309.13 g/mol
Exact Mass308.93
IUPAC Name5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
SMILESCC(=O)CNC(=O)c1csc(I)c1
InChIInChI=1S/C8H8INO2S/c1-5(11)3-10-8(12)6-2-7(9)13-4-6/h2,4H,3H2,1H3,(H,10,12)
InChIKeyZKNZFLVPIOBSLB-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
N'-acetyl-5-iodothiophene-3-carbohydrazide
CID 78950515
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78949941
N-[2-(benzylamino)-2-oxoethyl]-5-iodothiophene-3-carboxamide
CID 78948982
N-(3-bromopropyl)-5-iodothiophene-3-carboxamide
CID 79693807
N-(4-bromobutyl)-5-iodothiophene-3-carboxamide
CID 106845793
5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 81478928
5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829270
N-but-3-ynyl-5-iodothiophene-3-carboxamide
CID 78960026
N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 79693174

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide (CID 79692764) is 5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide is CC(=O)CNC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide?
The InChIKey is ZKNZFLVPIOBSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2S/c1-5(11)3-10-8(12)6-2-7(9)13-4-6/h2,4H,3H2,1H3,(H,10,12).
What are the key properties of 5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide?
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide has a molecular weight of 309.13 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide is sourced from PubChem (CID 79692764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).