N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide

C19H16N2O3S — CID 592413

IUPACN-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1c(C(=O)C2CC2)oc2ccccc12
InChIInChI=1S/C19H16N2O3S/c22-15(11-25-16-7-3-4-10-20-16)21-17-13-5-1-2-6-14(13)24-19(17)18(23)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,21,22)
InChIKeySKRPGEMRQFWEDK-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.15
Rot. Bonds6

About N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide

N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 592413) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID592413
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1c(C(=O)C2CC2)oc2ccccc12
InChIInChI=1S/C19H16N2O3S/c22-15(11-25-16-7-3-4-10-20-16)21-17-13-5-1-2-6-14(13)24-19(17)18(23)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,21,22)
InChIKeySKRPGEMRQFWEDK-UHFFFAOYSA-N
XLogP4.15
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide (CID 592413) is N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1c(C(=O)C2CC2)oc2ccccc12.
What is the InChIKey of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is SKRPGEMRQFWEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-15(11-25-16-7-3-4-10-20-16)21-17-13-5-1-2-6-14(13)24-19(17)18(23)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,21,22).
What are the key properties of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide?
N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 352.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 592413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).