N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide

C8H11NO3S — CID 155372017

IUPACN-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NOCCO
InChIInChI=1S/C8H11NO3S/c1-6-2-5-13-7(6)8(11)9-12-4-3-10/h2,5,10H,3-4H2,1H3,(H,9,11)
InChIKeyZTBUHTGMGWSQCA-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.71
Rot. Bonds4

About N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide

N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide (PubChem CID 155372017) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide
PubChem CID155372017
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC NameN-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NOCCO
InChIInChI=1S/C8H11NO3S/c1-6-2-5-13-7(6)8(11)9-12-4-3-10/h2,5,10H,3-4H2,1H3,(H,9,11)
InChIKeyZTBUHTGMGWSQCA-UHFFFAOYSA-N
XLogP0.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide (CID 155372017) is N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NOCCO.
What is the InChIKey of N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide?
The InChIKey is ZTBUHTGMGWSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6-2-5-13-7(6)8(11)9-12-4-3-10/h2,5,10H,3-4H2,1H3,(H,9,11).
What are the key properties of N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide?
N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethoxy)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 155372017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).