N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide

C24H22N2OS — CID 46376286

IUPACN-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCC(C)c1ccc2nc(-c3cccc(NC(=O)Cc4cccs4)c3)ccc2c1
InChIInChI=1S/C24H22N2OS/c1-16(2)17-8-10-23-19(13-17)9-11-22(26-23)18-5-3-6-20(14-18)25-24(27)15-21-7-4-12-28-21/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeySLGUDLBEYMYMMP-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.27
Rot. Bonds5

About N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 46376286) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID46376286
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC NameN-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCC(C)c1ccc2nc(-c3cccc(NC(=O)Cc4cccs4)c3)ccc2c1
InChIInChI=1S/C24H22N2OS/c1-16(2)17-8-10-23-19(13-17)9-11-22(26-23)18-5-3-6-20(14-18)25-24(27)15-21-7-4-12-28-21/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeySLGUDLBEYMYMMP-UHFFFAOYSA-N
XLogP6.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide
CID 46376288
2-phenyl-N-(3-quinolin-2-ylphenyl)acetamide
CID 46376277
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112997181
2-thiophen-2-yl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16872868
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 93125029
2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
CID 59343485
N-[4-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38749982
N-(3-ethyl-2H-indazol-5-yl)-2-thiophen-2-ylacetamide
CID 123966768
N-[3-(methoxymethyl)phenyl]-2-thiophen-2-ylacetamide
CID 33287828
3-[[3-[(2-thiophen-2-ylacetyl)amino]benzoyl]amino]benzoic acid
CID 1026629
N-hydroxy-2-phenyl-2-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]acetamide
CID 135320497

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 46376286) is N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide is CC(C)c1ccc2nc(-c3cccc(NC(=O)Cc4cccs4)c3)ccc2c1.
What is the InChIKey of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is SLGUDLBEYMYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-16(2)17-8-10-23-19(13-17)9-11-22(26-23)18-5-3-6-20(14-18)25-24(27)15-21-7-4-12-28-21/h3-14,16H,15H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 386.52 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 46376286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).