4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide

C14H14Cl2N2O2S — CID 146323576

IUPAC4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCCc1c(NC(=O)c2cc(Cl)c(Cl)s2)ccc(=O)n1CC
InChIInChI=1S/C14H14Cl2N2O2S/c1-3-10-9(5-6-12(19)18(10)4-2)17-14(20)11-7-8(15)13(16)21-11/h5-7H,3-4H2,1-2H3,(H,17,20)
InChIKeyGVFHPKFMJUVTGW-UHFFFAOYSA-N
MW345.25 g/mol
LogP4.05
Rot. Bonds4

About 4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide

4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 146323576) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
PubChem CID146323576
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCCc1c(NC(=O)c2cc(Cl)c(Cl)s2)ccc(=O)n1CC
InChIInChI=1S/C14H14Cl2N2O2S/c1-3-10-9(5-6-12(19)18(10)4-2)17-14(20)11-7-8(15)13(16)21-11/h5-7H,3-4H2,1-2H3,(H,17,20)
InChIKeyGVFHPKFMJUVTGW-UHFFFAOYSA-N
XLogP4.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide (CID 146323576) is 4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide is CCc1c(NC(=O)c2cc(Cl)c(Cl)s2)ccc(=O)n1CC.
What is the InChIKey of 4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is GVFHPKFMJUVTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-3-10-9(5-6-12(19)18(10)4-2)17-14(20)11-7-8(15)13(16)21-11/h5-7H,3-4H2,1-2H3,(H,17,20).
What are the key properties of 4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 345.25 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).