3-(1-benzothiophen-3-yl)propanamide

C11H11NOS — CID 58171156

IUPAC3-(1-benzothiophen-3-yl)propanamide
SMILESNC(=O)CCc1csc2ccccc12
InChIInChI=1S/C11H11NOS/c12-11(13)6-5-8-7-14-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H2,12,13)
InChIKeyPMDCJLUNEAHPCQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.32
Rot. Bonds3

About 3-(1-benzothiophen-3-yl)propanamide

3-(1-benzothiophen-3-yl)propanamide (PubChem CID 58171156) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)propanamide.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)propanamide
PubChem CID58171156
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name3-(1-benzothiophen-3-yl)propanamide
SMILESNC(=O)CCc1csc2ccccc12
InChIInChI=1S/C11H11NOS/c12-11(13)6-5-8-7-14-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H2,12,13)
InChIKeyPMDCJLUNEAHPCQ-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)propanamide?
The IUPAC name of 3-(1-benzothiophen-3-yl)propanamide (CID 58171156) is 3-(1-benzothiophen-3-yl)propanamide.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)propanamide?
The canonical SMILES for 3-(1-benzothiophen-3-yl)propanamide is NC(=O)CCc1csc2ccccc12.
What is the InChIKey of 3-(1-benzothiophen-3-yl)propanamide?
The InChIKey is PMDCJLUNEAHPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c12-11(13)6-5-8-7-14-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H2,12,13).
What are the key properties of 3-(1-benzothiophen-3-yl)propanamide?
3-(1-benzothiophen-3-yl)propanamide has a molecular weight of 205.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)propanamide is sourced from PubChem (CID 58171156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).