2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide

C23H24N2O2S — CID 56583692

IUPAC2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide
SMILESCC(Sc1ccnc2ccccc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C23H24N2O2S/c1-15(28-20-13-14-24-19-8-6-5-7-18(19)20)21(26)16-9-11-17(12-10-16)25-22(27)23(2,3)4/h5-15H,1-4H3,(H,25,27)
InChIKeyFKUXHXWYYNGHIC-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.58
Rot. Bonds5

About 2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide

2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide (PubChem CID 56583692) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide
PubChem CID56583692
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide
SMILESCC(Sc1ccnc2ccccc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C23H24N2O2S/c1-15(28-20-13-14-24-19-8-6-5-7-18(19)20)21(26)16-9-11-17(12-10-16)25-22(27)23(2,3)4/h5-15H,1-4H3,(H,25,27)
InChIKeyFKUXHXWYYNGHIC-UHFFFAOYSA-N
XLogP5.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]phenyl]propanamide
CID 55521769
2,2-dimethyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]propanamide
CID 46805667
2,2-dimethyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]propanamide
CID 46666372
2,2-dimethyl-N-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanoyl]phenyl]propanamide
CID 51319824
N-[4-[2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]-2,2-dimethylpropanamide
CID 55355996
2,2-dimethyl-N-[4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propanoyl]phenyl]propanamide
CID 55578497
N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide
CID 84601741
N-[4-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]-2,2-dimethylpropanamide
CID 42915823
2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide
CID 97135002
N-[4-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]phenyl]acetamide
CID 18085161
N-[4-[(2S)-2-[[5-(1H-indol-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]-2,2-dimethylpropanamide
CID 136911761
N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 112778861

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide (CID 56583692) is 2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide is CC(Sc1ccnc2ccccc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide?
The InChIKey is FKUXHXWYYNGHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-15(28-20-13-14-24-19-8-6-5-7-18(19)20)21(26)16-9-11-17(12-10-16)25-22(27)23(2,3)4/h5-15H,1-4H3,(H,25,27).
What are the key properties of 2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide?
2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide has a molecular weight of 392.52 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(2-quinolin-4-ylsulfanylpropanoyl)phenyl]propanamide is sourced from PubChem (CID 56583692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).