5-iodo-N-propan-2-ylthiophene-3-carboxamide

C8H10INOS — CID 78949917

IUPAC5-iodo-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C8H10INOS/c1-5(2)10-8(11)6-3-7(9)12-4-6/h3-5H,1-2H3,(H,10,11)
InChIKeyVVSNUAXZEDSZGF-UHFFFAOYSA-N
MW295.15 g/mol
LogP2.49
Rot. Bonds2

About 5-iodo-N-propan-2-ylthiophene-3-carboxamide

5-iodo-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 78949917) has the molecular formula C8H10INOS and a molecular weight of 295.15 g/mol. Its IUPAC name is 5-iodo-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-propan-2-ylthiophene-3-carboxamide
PubChem CID78949917
Molecular FormulaC8H10INOS
Molecular Weight295.15 g/mol
Exact Mass294.95
IUPAC Name5-iodo-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C8H10INOS/c1-5(2)10-8(11)6-3-7(9)12-4-6/h3-5H,1-2H3,(H,10,11)
InChIKeyVVSNUAXZEDSZGF-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 79684876
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
CID 104854913
N'-acetyl-5-iodothiophene-3-carbohydrazide
CID 78950515
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186
5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
CID 79692781
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 79685650
5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide
CID 78948643
N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
CID 106354884
N-[1-(4-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78948691

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-propan-2-ylthiophene-3-carboxamide (CID 78949917) is 5-iodo-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-propan-2-ylthiophene-3-carboxamide is CC(C)NC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is VVSNUAXZEDSZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INOS/c1-5(2)10-8(11)6-3-7(9)12-4-6/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5-iodo-N-propan-2-ylthiophene-3-carboxamide?
5-iodo-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 295.15 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 78949917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).