5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide

C10H14INO2S — CID 78948996

IUPAC5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
SMILESCOCCC(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C10H14INO2S/c1-7(3-4-14-2)12-10(13)8-5-9(11)15-6-8/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyNRKRKPUGYRTESO-UHFFFAOYSA-N
MW339.20 g/mol
LogP2.51
Rot. Bonds5

About 5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide

5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide (PubChem CID 78948996) has the molecular formula C10H14INO2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
PubChem CID78948996
Molecular FormulaC10H14INO2S
Molecular Weight339.20 g/mol
Exact Mass338.98
IUPAC Name5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
SMILESCOCCC(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C10H14INO2S/c1-7(3-4-14-2)12-10(13)8-5-9(11)15-6-8/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyNRKRKPUGYRTESO-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 52.51
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-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
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
5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
CID 79692781
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820298
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 79685650
N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
CID 106354884
N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
CID 79693699
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186
5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
CID 78948571
N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
CID 106244389

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide (CID 78948996) is 5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide is COCCC(C)NC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide?
The InChIKey is NRKRKPUGYRTESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2S/c1-7(3-4-14-2)12-10(13)8-5-9(11)15-6-8/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide?
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide has a molecular weight of 339.20 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 78948996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).