N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide

C11H17NO2S — CID 107202244

IUPACN-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-12(7-3-2-4-8-13)11(14)10-6-5-9-15-10/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyFUWITKVQWGVPKP-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.98
Rot. Bonds6

About N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide

N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide (PubChem CID 107202244) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
PubChem CID107202244
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-12(7-3-2-4-8-13)11(14)10-6-5-9-15-10/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyFUWITKVQWGVPKP-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.98
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

N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982
N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide
CID 107202461
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110715967
N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 115611555
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
N-[2-[2-hydroxyethyl(2-methoxyethyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 115772717

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide (CID 107202244) is N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide is CN(CCCCCO)C(=O)c1cccs1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide?
The InChIKey is FUWITKVQWGVPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12(7-3-2-4-8-13)11(14)10-6-5-9-15-10/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide?
N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 107202244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).