N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide

C11H14INOS — CID 78948345

IUPACN-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
SMILESO=C(NCC1CCCC1)c1csc(I)c1
InChIInChI=1S/C11H14INOS/c12-10-5-9(7-15-10)11(14)13-6-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,13,14)
InChIKeyDGAUXMIIURVSRH-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.27
Rot. Bonds3

About N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide

N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide (PubChem CID 78948345) has the molecular formula C11H14INOS and a molecular weight of 335.21 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
PubChem CID78948345
Molecular FormulaC11H14INOS
Molecular Weight335.21 g/mol
Exact Mass334.98
IUPAC NameN-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
SMILESO=C(NCC1CCCC1)c1csc(I)c1
InChIInChI=1S/C11H14INOS/c12-10-5-9(7-15-10)11(14)13-6-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,13,14)
InChIKeyDGAUXMIIURVSRH-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.27
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

5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide
CID 115625132
N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
CID 106132272
5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
CID 78949608
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65371125
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
N-(cyclopentylmethyl)-5-(4-hydroxybut-1-ynyl)thiophene-3-carboxamide
CID 79696333
N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
CID 104956640
5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide
CID 71844646
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide (CID 78948345) is N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide is O=C(NCC1CCCC1)c1csc(I)c1.
What is the InChIKey of N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide?
The InChIKey is DGAUXMIIURVSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INOS/c12-10-5-9(7-15-10)11(14)13-6-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,13,14).
What are the key properties of N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide?
N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).