2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide

C21H23N3O2S — CID 162650732

IUPAC2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(Sc2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2S/c1-3-24(4-2)14-21(26)22-15-9-11-16(12-10-15)27-19-13-20(25)23-18-8-6-5-7-17(18)19/h5-13H,3-4,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyAAOORKMDIXERTK-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.96
Rot. Bonds7

About 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide

2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide (PubChem CID 162650732) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
PubChem CID162650732
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(Sc2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2S/c1-3-24(4-2)14-21(26)22-15-9-11-16(12-10-15)27-19-13-20(25)23-18-8-6-5-7-17(18)19/h5-13H,3-4,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyAAOORKMDIXERTK-UHFFFAOYSA-N
XLogP3.96
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
CID 162673612
2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
CID 162664711
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-8-yl)acetamide
CID 11162234
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358570
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2489819
4-(3-fluorophenyl)sulfanyl-1H-quinolin-2-one
CID 143635572

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide (CID 162650732) is 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide is CCN(CC)CC(=O)Nc1ccc(Sc2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
The InChIKey is AAOORKMDIXERTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-24(4-2)14-21(26)22-15-9-11-16(12-10-15)27-19-13-20(25)23-18-8-6-5-7-17(18)19/h5-13H,3-4,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 162650732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).