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

C12H9Cl2NOS2 — CID 2805358

IUPAC2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl2NOS2/c1-17-9-5-3-2-4-8(9)15-12(16)7-6-10(13)18-11(7)14/h2-6H,1H3,(H,15,16)
InChIKeyKFBAGTHGYGTOLK-UHFFFAOYSA-N
MW318.25 g/mol
LogP5.03
Rot. Bonds3

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

2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide (PubChem CID 2805358) has the molecular formula C12H9Cl2NOS2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide
PubChem CID2805358
Molecular FormulaC12H9Cl2NOS2
Molecular Weight318.25 g/mol
Exact Mass316.95
IUPAC Name2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl2NOS2/c1-17-9-5-3-2-4-8(9)15-12(16)7-6-10(13)18-11(7)14/h2-6H,1H3,(H,15,16)
InChIKeyKFBAGTHGYGTOLK-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.25
LogP ≤ 55.03
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-(2-methylsulfanylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide (CID 2805358) is 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide is CSc1ccccc1NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide?
The InChIKey is KFBAGTHGYGTOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS2/c1-17-9-5-3-2-4-8(9)15-12(16)7-6-10(13)18-11(7)14/h2-6H,1H3,(H,15,16).
What are the key properties of 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide has a molecular weight of 318.25 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 2805358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).