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

C13H20INOS — CID 79693864

IUPAC5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C13H20INOS/c1-12(2,3)8-13(4,5)15-11(16)9-6-10(14)17-7-9/h6-7H,8H2,1-5H3,(H,15,16)
InChIKeyHIGNAIZSOKSKME-UHFFFAOYSA-N
MW365.28 g/mol
LogP4.30
Rot. Bonds3

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

5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide (PubChem CID 79693864) has the molecular formula C13H20INOS and a molecular weight of 365.28 g/mol. Its IUPAC name is 5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide
PubChem CID79693864
Molecular FormulaC13H20INOS
Molecular Weight365.28 g/mol
Exact Mass365.03
IUPAC Name5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1csc(I)c1
InChIInChI=1S/C13H20INOS/c1-12(2,3)8-13(4,5)15-11(16)9-6-10(14)17-7-9/h6-7H,8H2,1-5H3,(H,15,16)
InChIKeyHIGNAIZSOKSKME-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 54.30
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

4-[(5-iodothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 79685646
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974128
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
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-propan-2-ylthiophene-3-carboxamide
CID 78949917
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 103955509
N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
CID 106354884
5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78949941

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide (CID 79693864) is 5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide is CC(C)(C)CC(C)(C)NC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide?
The InChIKey is HIGNAIZSOKSKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20INOS/c1-12(2,3)8-13(4,5)15-11(16)9-6-10(14)17-7-9/h6-7H,8H2,1-5H3,(H,15,16).
What are the key properties of 5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide?
5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide has a molecular weight of 365.28 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 79693864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).