N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide

C19H19N3O4S2 — CID 7189699

IUPACN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C#N)C1
InChIInChI=1S/C19H19N3O4S2/c1-13(23)22-9-7-15-16(11-20)19(27-17(15)12-22)21-18(24)8-10-28(25,26)14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3,(H,21,24)
InChIKeyIAWQZTLGAFQHNT-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.33
Rot. Bonds5

About N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide (PubChem CID 7189699) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide.

Molecular Properties

Compound NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide
PubChem CID7189699
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C#N)C1
InChIInChI=1S/C19H19N3O4S2/c1-13(23)22-9-7-15-16(11-20)19(27-17(15)12-22)21-18(24)8-10-28(25,26)14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3,(H,21,24)
InChIKeyIAWQZTLGAFQHNT-UHFFFAOYSA-N
XLogP2.33
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide 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-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide?
The IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide (CID 7189699) is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide.
What is the SMILES notation for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide?
The canonical SMILES for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide is CC(=O)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C#N)C1.
What is the InChIKey of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide?
The InChIKey is IAWQZTLGAFQHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-13(23)22-9-7-15-16(11-20)19(27-17(15)12-22)21-18(24)8-10-28(25,26)14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3,(H,21,24).
What are the key properties of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide?
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide has a molecular weight of 417.51 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide is sourced from PubChem (CID 7189699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).