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

C15H22N2O5S2 — CID 110623308

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
SMILESCCS(=O)(=O)N1CCCc2cc(NC(=O)CCS(C)(=O)=O)ccc21
InChIInChI=1S/C15H22N2O5S2/c1-3-24(21,22)17-9-4-5-12-11-13(6-7-14(12)17)16-15(18)8-10-23(2,19)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18)
InChIKeyPNSBOFGPAFJWKG-UHFFFAOYSA-N
MW374.48 g/mol
LogP1.16
Rot. Bonds6

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

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide (PubChem CID 110623308) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
PubChem CID110623308
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
SMILESCCS(=O)(=O)N1CCCc2cc(NC(=O)CCS(C)(=O)=O)ccc21
InChIInChI=1S/C15H22N2O5S2/c1-3-24(21,22)17-9-4-5-12-11-13(6-7-14(12)17)16-15(18)8-10-23(2,19)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18)
InChIKeyPNSBOFGPAFJWKG-UHFFFAOYSA-N
XLogP1.16
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-methylphenyl)propanamide
CID 110303798
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide
CID 110623309
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
CID 110303774
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 110623306
N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide
CID 27656182

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide (CID 110623308) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide is CCS(=O)(=O)N1CCCc2cc(NC(=O)CCS(C)(=O)=O)ccc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide?
The InChIKey is PNSBOFGPAFJWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-3-24(21,22)17-9-4-5-12-11-13(6-7-14(12)17)16-15(18)8-10-23(2,19)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide has a molecular weight of 374.48 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 110623308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).