2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide

C14H16N2O3S — CID 154766657

IUPAC2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CS(=O)(=O)c1nccc2ccccc12
InChIInChI=1S/C14H16N2O3S/c1-10(2)16-13(17)9-20(18,19)14-12-6-4-3-5-11(12)7-8-15-14/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyRGTWVVMGOGVBNS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.53
Rot. Bonds4

About 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide

2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide (PubChem CID 154766657) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide
PubChem CID154766657
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CS(=O)(=O)c1nccc2ccccc12
InChIInChI=1S/C14H16N2O3S/c1-10(2)16-13(17)9-20(18,19)14-12-6-4-3-5-11(12)7-8-15-14/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyRGTWVVMGOGVBNS-UHFFFAOYSA-N
XLogP1.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide 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 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide?
The IUPAC name of 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide (CID 154766657) is 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide is CC(C)NC(=O)CS(=O)(=O)c1nccc2ccccc12.
What is the InChIKey of 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide?
The InChIKey is RGTWVVMGOGVBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10(2)16-13(17)9-20(18,19)14-12-6-4-3-5-11(12)7-8-15-14/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide?
2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide has a molecular weight of 292.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-1-ylsulfonyl-N-propan-2-ylacetamide is sourced from PubChem (CID 154766657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).