5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide

C13H13NOS2 — CID 91754987

IUPAC5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide
SMILESCCSc1cccc(-c2ccc(C(N)=O)s2)c1
InChIInChI=1S/C13H13NOS2/c1-2-16-10-5-3-4-9(8-10)11-6-7-12(17-11)13(14)15/h3-8H,2H2,1H3,(H2,14,15)
InChIKeyTYROLWYYLFWJEG-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.63
Rot. Bonds4

About 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide

5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide (PubChem CID 91754987) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide
PubChem CID91754987
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC Name5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide
SMILESCCSc1cccc(-c2ccc(C(N)=O)s2)c1
InChIInChI=1S/C13H13NOS2/c1-2-16-10-5-3-4-9(8-10)11-6-7-12(17-11)13(14)15/h3-8H,2H2,1H3,(H2,14,15)
InChIKeyTYROLWYYLFWJEG-UHFFFAOYSA-N
XLogP3.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide (CID 91754987) is 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide is CCSc1cccc(-c2ccc(C(N)=O)s2)c1.
What is the InChIKey of 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide?
The InChIKey is TYROLWYYLFWJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c1-2-16-10-5-3-4-9(8-10)11-6-7-12(17-11)13(14)15/h3-8H,2H2,1H3,(H2,14,15).
What are the key properties of 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide?
5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide has a molecular weight of 263.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 91754987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).