N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide

C10H14INO2S — CID 79693960

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide
SMILESCCC(C)(CO)NC(=O)c1csc(I)c1
InChIInChI=1S/C10H14INO2S/c1-3-10(2,6-13)12-9(14)7-4-8(11)15-5-7/h4-5,13H,3,6H2,1-2H3,(H,12,14)
InChIKeyOHSUGWROKHETCJ-UHFFFAOYSA-N
MW339.20 g/mol
LogP2.24
Rot. Bonds4

About N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide

N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide (PubChem CID 79693960) has the molecular formula C10H14INO2S and a molecular weight of 339.20 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide
PubChem CID79693960
Molecular FormulaC10H14INO2S
Molecular Weight339.20 g/mol
Exact Mass338.98
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide
SMILESCCC(C)(CO)NC(=O)c1csc(I)c1
InChIInChI=1S/C10H14INO2S/c1-3-10(2,6-13)12-9(14)7-4-8(11)15-5-7/h4-5,13H,3,6H2,1-2H3,(H,12,14)
InChIKeyOHSUGWROKHETCJ-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide (CID 79693960) is N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide is CCC(C)(CO)NC(=O)c1csc(I)c1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is OHSUGWROKHETCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2S/c1-3-10(2,6-13)12-9(14)7-4-8(11)15-5-7/h4-5,13H,3,6H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 339.20 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79693960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).