3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide

C8H10ClNO3S — CID 123327670

IUPAC3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide
SMILESCC(O)CONC(=O)c1sccc1Cl
InChIInChI=1S/C8H10ClNO3S/c1-5(11)4-13-10-8(12)7-6(9)2-3-14-7/h2-3,5,11H,4H2,1H3,(H,10,12)
InChIKeyUNEPJXXEUJOZBK-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.44
Rot. Bonds4

About 3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide

3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide (PubChem CID 123327670) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide
PubChem CID123327670
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide
SMILESCC(O)CONC(=O)c1sccc1Cl
InChIInChI=1S/C8H10ClNO3S/c1-5(11)4-13-10-8(12)7-6(9)2-3-14-7/h2-3,5,11H,4H2,1H3,(H,10,12)
InChIKeyUNEPJXXEUJOZBK-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide (CID 123327670) is 3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide is CC(O)CONC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide?
The InChIKey is UNEPJXXEUJOZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c1-5(11)4-13-10-8(12)7-6(9)2-3-14-7/h2-3,5,11H,4H2,1H3,(H,10,12).
What are the key properties of 3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide?
3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide has a molecular weight of 235.69 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxypropoxy)thiophene-2-carboxamide is sourced from PubChem (CID 123327670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).