5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide

C11H10ClNOS — CID 70265437

IUPAC5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide
SMILESNC(=O)C1CC=C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C11H10ClNOS/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-5,10H,6H2,(H2,13,14)
InChIKeyLKRFEZKTWZPWCD-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.67
Rot. Bonds2

About 5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide

5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide (PubChem CID 70265437) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide
PubChem CID70265437
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide
SMILESNC(=O)C1CC=C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C11H10ClNOS/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-5,10H,6H2,(H2,13,14)
InChIKeyLKRFEZKTWZPWCD-UHFFFAOYSA-N
XLogP2.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide (CID 70265437) is 5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide is NC(=O)C1CC=C(c2ccc(Cl)cc2)S1.
What is the InChIKey of 5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide?
The InChIKey is LKRFEZKTWZPWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-5,10H,6H2,(H2,13,14).
What are the key properties of 5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide?
5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide has a molecular weight of 239.73 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,3-dihydrothiophene-2-carboxamide is sourced from PubChem (CID 70265437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).