2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide

C15H22N2O4S — CID 91644611

IUPAC2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide
SMILESCC(OC1CCCCCC1)C(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C15H22N2O4S/c1-12(21-13-7-4-2-3-5-8-13)15(18)17-22(19,20)14-9-6-10-16-11-14/h6,9-13H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyQDWQIKPQLMBVCL-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.01
Rot. Bonds5

About 2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide

2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide (PubChem CID 91644611) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide.

Molecular Properties

Compound Name2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide
PubChem CID91644611
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide
SMILESCC(OC1CCCCCC1)C(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C15H22N2O4S/c1-12(21-13-7-4-2-3-5-8-13)15(18)17-22(19,20)14-9-6-10-16-11-14/h6,9-13H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyQDWQIKPQLMBVCL-UHFFFAOYSA-N
XLogP2.01
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide 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-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide?
The IUPAC name of 2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide (CID 91644611) is 2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide.
What is the SMILES notation for 2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide?
The canonical SMILES for 2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide is CC(OC1CCCCCC1)C(=O)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide?
The InChIKey is QDWQIKPQLMBVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12(21-13-7-4-2-3-5-8-13)15(18)17-22(19,20)14-9-6-10-16-11-14/h6,9-13H,2-5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide?
2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide has a molecular weight of 326.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide is sourced from PubChem (CID 91644611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).