2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide

C22H26N2O3S — CID 110623306

IUPAC2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
SMILESCCS(=O)(=O)N1CCCc2cc(NC(=O)C(c3ccccc3)C3CC3)ccc21
InChIInChI=1S/C22H26N2O3S/c1-2-28(26,27)24-14-6-9-18-15-19(12-13-20(18)24)23-22(25)21(17-10-11-17)16-7-4-3-5-8-16/h3-5,7-8,12-13,15,17,21H,2,6,9-11,14H2,1H3,(H,23,25)
InChIKeyFMAHEVGUHOCKAF-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.92
Rot. Bonds6

About 2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide

2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide (PubChem CID 110623306) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
PubChem CID110623306
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
SMILESCCS(=O)(=O)N1CCCc2cc(NC(=O)C(c3ccccc3)C3CC3)ccc21
InChIInChI=1S/C22H26N2O3S/c1-2-28(26,27)24-14-6-9-18-15-19(12-13-20(18)24)23-22(25)21(17-10-11-17)16-7-4-3-5-8-16/h3-5,7-8,12-13,15,17,21H,2,6,9-11,14H2,1H3,(H,23,25)
InChIKeyFMAHEVGUHOCKAF-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide
CID 27656182
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
CID 110623308
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 71960941
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-methylphenyl)propanamide
CID 110303798
N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 110623316
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide
CID 110623309
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 4556080
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide?
The IUPAC name of 2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide (CID 110623306) is 2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide?
The canonical SMILES for 2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide is CCS(=O)(=O)N1CCCc2cc(NC(=O)C(c3ccccc3)C3CC3)ccc21.
What is the InChIKey of 2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide?
The InChIKey is FMAHEVGUHOCKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-2-28(26,27)24-14-6-9-18-15-19(12-13-20(18)24)23-22(25)21(17-10-11-17)16-7-4-3-5-8-16/h3-5,7-8,12-13,15,17,21H,2,6,9-11,14H2,1H3,(H,23,25).
What are the key properties of 2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide?
2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide has a molecular weight of 398.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide is sourced from PubChem (CID 110623306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).