2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide

C11H13Cl2NO2S — CID 102684844

IUPAC2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(CCO)C1CCC1
InChIInChI=1S/C11H13Cl2NO2S/c12-9-6-8(10(13)17-9)11(16)14(4-5-15)7-2-1-3-7/h6-7,15H,1-5H2
InChIKeyOXTPSAALVFRMAF-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.04
Rot. Bonds4

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

2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide (PubChem CID 102684844) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide
PubChem CID102684844
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(CCO)C1CCC1
InChIInChI=1S/C11H13Cl2NO2S/c12-9-6-8(10(13)17-9)11(16)14(4-5-15)7-2-1-3-7/h6-7,15H,1-5H2
InChIKeyOXTPSAALVFRMAF-UHFFFAOYSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide (CID 102684844) is 2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide is O=C(c1cc(Cl)sc1Cl)N(CCO)C1CCC1.
What is the InChIKey of 2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide?
The InChIKey is OXTPSAALVFRMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c12-9-6-8(10(13)17-9)11(16)14(4-5-15)7-2-1-3-7/h6-7,15H,1-5H2.
What are the key properties of 2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide?
2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide has a molecular weight of 294.20 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-carboxamide is sourced from PubChem (CID 102684844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).