N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide

C25H22N2OS — CID 43926524

IUPACN-benzhydryl-2-quinolin-8-ylsulfanylpropanamide
SMILESCC(Sc1cccc2cccnc12)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2OS/c1-18(29-22-16-8-14-21-15-9-17-26-24(21)22)25(28)27-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-18,23H,1H3,(H,27,28)
InChIKeyIDDDPATUKRZYCR-UHFFFAOYSA-N
MW398.53 g/mol
LogP5.62
Rot. Bonds6

About N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide

N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide (PubChem CID 43926524) has the molecular formula C25H22N2OS and a molecular weight of 398.53 g/mol. Its IUPAC name is N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-benzhydryl-2-quinolin-8-ylsulfanylpropanamide
PubChem CID43926524
Molecular FormulaC25H22N2OS
Molecular Weight398.53 g/mol
Exact Mass398.15
IUPAC NameN-benzhydryl-2-quinolin-8-ylsulfanylpropanamide
SMILESCC(Sc1cccc2cccnc12)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2OS/c1-18(29-22-16-8-14-21-15-9-17-26-24(21)22)25(28)27-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-18,23H,1H3,(H,27,28)
InChIKeyIDDDPATUKRZYCR-UHFFFAOYSA-N
XLogP5.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide 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-benzhydryl-2-quinolin-8-ylsulfanylpropanamide?
The IUPAC name of N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide (CID 43926524) is N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide.
What is the SMILES notation for N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide?
The canonical SMILES for N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide is CC(Sc1cccc2cccnc12)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide?
The InChIKey is IDDDPATUKRZYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2OS/c1-18(29-22-16-8-14-21-15-9-17-26-24(21)22)25(28)27-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-18,23H,1H3,(H,27,28).
What are the key properties of N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide?
N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide has a molecular weight of 398.53 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide is sourced from PubChem (CID 43926524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).