N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide

C13H20N2O4S2 — CID 56827655

IUPACN-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NS(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H20N2O4S2/c1-10(2)19-7-4-13(16)14-21(17,18)15-6-3-12-11(9-15)5-8-20-12/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,14,16)
InChIKeySCOLXYAICAFFPP-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.28
Rot. Bonds6

About N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide

N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide (PubChem CID 56827655) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide
PubChem CID56827655
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NS(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H20N2O4S2/c1-10(2)19-7-4-13(16)14-21(17,18)15-6-3-12-11(9-15)5-8-20-12/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,14,16)
InChIKeySCOLXYAICAFFPP-UHFFFAOYSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide 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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide?
The IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide (CID 56827655) is N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide?
The canonical SMILES for N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NS(=O)(=O)N1CCc2sccc2C1.
What is the InChIKey of N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide?
The InChIKey is SCOLXYAICAFFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-10(2)19-7-4-13(16)14-21(17,18)15-6-3-12-11(9-15)5-8-20-12/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide?
N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide has a molecular weight of 332.45 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 56827655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).