2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide

C8H9Cl2NO2S — CID 78856775

IUPAC2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide
SMILESCC(CO)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-4(3-12)11-8(13)5-2-6(9)14-7(5)10/h2,4,12H,3H2,1H3,(H,11,13)
InChIKeyVJOXJUBYWBKZHD-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.17
Rot. Bonds3

About 2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide

2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide (PubChem CID 78856775) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide
PubChem CID78856775
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide
SMILESCC(CO)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-4(3-12)11-8(13)5-2-6(9)14-7(5)10/h2,4,12H,3H2,1H3,(H,11,13)
InChIKeyVJOXJUBYWBKZHD-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide (CID 78856775) is 2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide is CC(CO)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide?
The InChIKey is VJOXJUBYWBKZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c1-4(3-12)11-8(13)5-2-6(9)14-7(5)10/h2,4,12H,3H2,1H3,(H,11,13).
What are the key properties of 2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide has a molecular weight of 254.14 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 78856775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).