5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide

C10H12INO2S — CID 79692763

IUPAC5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C10H12INO2S/c1-3-8(13)6(2)12-10(14)7-4-9(11)15-5-7/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyQXVWQBRNYSBKFJ-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.45
Rot. Bonds4

About 5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide

5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide (PubChem CID 79692763) has the molecular formula C10H12INO2S and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
PubChem CID79692763
Molecular FormulaC10H12INO2S
Molecular Weight337.18 g/mol
Exact Mass336.96
IUPAC Name5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C10H12INO2S/c1-3-8(13)6(2)12-10(14)7-4-9(11)15-5-7/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyQXVWQBRNYSBKFJ-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.45
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

5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893
5-iodo-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-3-carboxamide
CID 78948643
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 79684876
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
N-(4-ethylsulfanylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 115662170
5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
CID 104854913
N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
CID 106354884
5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
CID 79692781
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186
N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 64992041
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide (CID 79692763) is 5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide is CCC(=O)C(C)NC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
The InChIKey is QXVWQBRNYSBKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2S/c1-3-8(13)6(2)12-10(14)7-4-9(11)15-5-7/h4-6H,3H2,1-2H3,(H,12,14).
What are the key properties of 5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 79692763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).