N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C25H26N2O2S — CID 58859966

IUPACN-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2sc(C)cc2C)c2ccccc21
InChIInChI=1S/C25H26N2O2S/c1-16-14-18(3)30-24(16)25(29)26-17(2)15-23(21-12-8-9-13-22(21)26)27(19(4)28)20-10-6-5-7-11-20/h5-14,17,23H,15H2,1-4H3
InChIKeyAJOYZRWQVOWQHS-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.90
Rot. Bonds3

About N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 58859966) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID58859966
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameN-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2sc(C)cc2C)c2ccccc21
InChIInChI=1S/C25H26N2O2S/c1-16-14-18(3)30-24(16)25(29)26-17(2)15-23(21-12-8-9-13-22(21)26)27(19(4)28)20-10-6-5-7-11-20/h5-14,17,23H,15H2,1-4H3
InChIKeyAJOYZRWQVOWQHS-UHFFFAOYSA-N
XLogP5.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 58859966) is N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2sc(C)cc2C)c2ccccc21.
What is the InChIKey of N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is AJOYZRWQVOWQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-16-14-18(3)30-24(16)25(29)26-17(2)15-23(21-12-8-9-13-22(21)26)27(19(4)28)20-10-6-5-7-11-20/h5-14,17,23H,15H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 418.56 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 58859966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).