N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide

C15H23NO2S — CID 49002161

IUPACN-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCOC2CCCC2)sc1C
InChIInChI=1S/C15H23NO2S/c1-11-10-14(19-12(11)2)15(17)16-8-5-9-18-13-6-3-4-7-13/h10,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyPGWPQNNJMKNERJ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.44
Rot. Bonds6

About N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide

N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 49002161) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID49002161
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCOC2CCCC2)sc1C
InChIInChI=1S/C15H23NO2S/c1-11-10-14(19-12(11)2)15(17)16-8-5-9-18-13-6-3-4-7-13/h10,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyPGWPQNNJMKNERJ-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057
N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612435
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-[(2-hydroxycyclohexyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 64912602
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 111426339
N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 24532565
5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide
CID 79990881
N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239005
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide (CID 49002161) is N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCCCOC2CCCC2)sc1C.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is PGWPQNNJMKNERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-10-14(19-12(11)2)15(17)16-8-5-9-18-13-6-3-4-7-13/h10,13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide?
N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 49002161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).