2,3-dihydro-1-benzothiophene-3-carboxamide

C9H9NOS — CID 78993611

IUPAC2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)C1CSc2ccccc21
InChIInChI=1S/C9H9NOS/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H2,10,11)
InChIKeyKXSCQVIJUFKVQY-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.36
Rot. Bonds1

About 2,3-dihydro-1-benzothiophene-3-carboxamide

2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 78993611) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID78993611
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)C1CSc2ccccc21
InChIInChI=1S/C9H9NOS/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H2,10,11)
InChIKeyKXSCQVIJUFKVQY-UHFFFAOYSA-N
XLogP1.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2,3-dihydro-1-benzothiophene-3-carboxamide (CID 78993611) is 2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2,3-dihydro-1-benzothiophene-3-carboxamide is NC(=O)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is KXSCQVIJUFKVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H2,10,11).
What are the key properties of 2,3-dihydro-1-benzothiophene-3-carboxamide?
2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 179.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 78993611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).