2-(1-benzothiophen-5-ylamino)-N-propylacetamide

C13H16N2OS — CID 60751180

IUPAC2-(1-benzothiophen-5-ylamino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc2sccc2c1
InChIInChI=1S/C13H16N2OS/c1-2-6-14-13(16)9-15-11-3-4-12-10(8-11)5-7-17-12/h3-5,7-8,15H,2,6,9H2,1H3,(H,14,16)
InChIKeyFPPHJNBALXNGMY-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.84
Rot. Bonds5

About 2-(1-benzothiophen-5-ylamino)-N-propylacetamide

2-(1-benzothiophen-5-ylamino)-N-propylacetamide (PubChem CID 60751180) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-N-propylacetamide
PubChem CID60751180
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(1-benzothiophen-5-ylamino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc2sccc2c1
InChIInChI=1S/C13H16N2OS/c1-2-6-14-13(16)9-15-11-3-4-12-10(8-11)5-7-17-12/h3-5,7-8,15H,2,6,9H2,1H3,(H,14,16)
InChIKeyFPPHJNBALXNGMY-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-N-propylacetamide?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-N-propylacetamide (CID 60751180) is 2-(1-benzothiophen-5-ylamino)-N-propylacetamide.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-N-propylacetamide?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-N-propylacetamide is CCCNC(=O)CNc1ccc2sccc2c1.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-N-propylacetamide?
The InChIKey is FPPHJNBALXNGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-6-14-13(16)9-15-11-3-4-12-10(8-11)5-7-17-12/h3-5,7-8,15H,2,6,9H2,1H3,(H,14,16).
What are the key properties of 2-(1-benzothiophen-5-ylamino)-N-propylacetamide?
2-(1-benzothiophen-5-ylamino)-N-propylacetamide has a molecular weight of 248.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)-N-propylacetamide is sourced from PubChem (CID 60751180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).