3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide

C10H12INOS — CID 130576413

IUPAC3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide
SMILESCC1CCC1NC(=O)c1sccc1I
InChIInChI=1S/C10H12INOS/c1-6-2-3-8(6)12-10(13)9-7(11)4-5-14-9/h4-6,8H,2-3H2,1H3,(H,12,13)
InChIKeyBPHLYJFXKDXEIL-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.88
Rot. Bonds2

About 3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide

3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide (PubChem CID 130576413) has the molecular formula C10H12INOS and a molecular weight of 321.18 g/mol. Its IUPAC name is 3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide
PubChem CID130576413
Molecular FormulaC10H12INOS
Molecular Weight321.18 g/mol
Exact Mass320.97
IUPAC Name3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide
SMILESCC1CCC1NC(=O)c1sccc1I
InChIInChI=1S/C10H12INOS/c1-6-2-3-8(6)12-10(13)9-7(11)4-5-14-9/h4-6,8H,2-3H2,1H3,(H,12,13)
InChIKeyBPHLYJFXKDXEIL-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.88
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

3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
CID 63996432
N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 64921671
N-hydroxy-3-iodothiophene-2-carboxamide
CID 130576418
3-[2-[(2-methylcyclopentyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 77017621
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120556997
3-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)thiophene-2-carboxamide
CID 63797837
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120556996
N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 120555354
cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 97031564
3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide
CID 130783846

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide?
The IUPAC name of 3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide (CID 130576413) is 3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide?
The canonical SMILES for 3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide is CC1CCC1NC(=O)c1sccc1I.
What is the InChIKey of 3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide?
The InChIKey is BPHLYJFXKDXEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INOS/c1-6-2-3-8(6)12-10(13)9-7(11)4-5-14-9/h4-6,8H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide?
3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide is sourced from PubChem (CID 130576413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).