N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide

C19H21FN2O3S — CID 27656011

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21
InChIInChI=1S/C19H21FN2O3S/c1-2-26(24,25)22-11-3-4-15-7-10-17(13-18(15)22)21-19(23)12-14-5-8-16(20)9-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyHTWYOSXDOMZQCS-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.11
Rot. Bonds5

About N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 27656011) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
PubChem CID27656011
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21
InChIInChI=1S/C19H21FN2O3S/c1-2-26(24,25)22-11-3-4-15-7-10-17(13-18(15)22)21-19(23)12-14-5-8-16(20)9-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyHTWYOSXDOMZQCS-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)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-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide
CID 112506348
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372783
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide
CID 27656037
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide
CID 110623309
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 20963067
3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27656057
4-ethyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963035
2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835478

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide (CID 27656011) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide is CCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is HTWYOSXDOMZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-2-26(24,25)22-11-3-4-15-7-10-17(13-18(15)22)21-19(23)12-14-5-8-16(20)9-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,21,23).
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 376.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 27656011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).