2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide

C19H21FN2O4S — CID 7657751

IUPAC2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCCOCC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c1-2-26-13-19(23)21-16-7-10-18-14(12-16)4-3-11-22(18)27(24,25)17-8-5-15(20)6-9-17/h5-10,12H,2-4,11,13H2,1H3,(H,21,23)
InChIKeyRFDPBICYJWAHCK-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.94
Rot. Bonds6

About 2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide

2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 7657751) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID7657751
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCCOCC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c1-2-26-13-19(23)21-16-7-10-18-14(12-16)4-3-11-22(18)27(24,25)17-8-5-15(20)6-9-17/h5-10,12H,2-4,11,13H2,1H3,(H,21,23)
InChIKeyRFDPBICYJWAHCK-UHFFFAOYSA-N
XLogP2.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-4-propan-2-yloxybenzamide
CID 27532570
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27567804
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565135
2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27443582
2-(4-methoxyphenoxy)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18565018
4-ethyl-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27368912
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 27368896
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 27545964
2-ethoxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 7586784
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 27549201
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 7657751) is 2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide is CCOCC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is RFDPBICYJWAHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-2-26-13-19(23)21-16-7-10-18-14(12-16)4-3-11-22(18)27(24,25)17-8-5-15(20)6-9-17/h5-10,12H,2-4,11,13H2,1H3,(H,21,23).
What are the key properties of 2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 392.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 7657751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).