2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide

C8H9Cl2NO2S — CID 78823237

IUPAC2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCCCO)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl2NO2S/c9-6-4-5(7(10)14-6)8(13)11-2-1-3-12/h4,12H,1-3H2,(H,11,13)
InChIKeyNCEUQACQTJTQEC-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.17
Rot. Bonds4

About 2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide

2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 78823237) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide
PubChem CID78823237
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCCCO)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl2NO2S/c9-6-4-5(7(10)14-6)8(13)11-2-1-3-12/h4,12H,1-3H2,(H,11,13)
InChIKeyNCEUQACQTJTQEC-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide (CID 78823237) is 2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide is O=C(NCCCO)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is NCEUQACQTJTQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c9-6-4-5(7(10)14-6)8(13)11-2-1-3-12/h4,12H,1-3H2,(H,11,13).
What are the key properties of 2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide?
2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 254.14 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 78823237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).