N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide

C19H20FN3O4S — CID 154838378

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(F)c1)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H20FN3O4S/c20-15-7-3-8-16(11-15)28(26,27)22-12-18(24)21-13-19(25)23-10-4-6-14-5-1-2-9-17(14)23/h1-3,5,7-9,11,22H,4,6,10,12-13H2,(H,21,24)
InChIKeyFGJMPDXSNXCGRQ-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.20
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide (PubChem CID 154838378) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide
PubChem CID154838378
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(F)c1)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H20FN3O4S/c20-15-7-3-8-16(11-15)28(26,27)22-12-18(24)21-13-19(25)23-10-4-6-14-5-1-2-9-17(14)23/h1-3,5,7-9,11,22H,4,6,10,12-13H2,(H,21,24)
InChIKeyFGJMPDXSNXCGRQ-UHFFFAOYSA-N
XLogP1.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370874
3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111876608
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110370861
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 110370809
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51218620
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
CID 99217097
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide (CID 154838378) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1cccc(F)c1)NCC(=O)N1CCCc2ccccc21.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is FGJMPDXSNXCGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c20-15-7-3-8-16(11-15)28(26,27)22-12-18(24)21-13-19(25)23-10-4-6-14-5-1-2-9-17(14)23/h1-3,5,7-9,11,22H,4,6,10,12-13H2,(H,21,24).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 405.45 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 154838378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).