N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide

C20H21F3N2O3S — CID 16835427

IUPACN-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C20H21F3N2O3S/c1-2-12-29(27,28)25-11-5-6-14-9-10-15(13-18(14)25)24-19(26)16-7-3-4-8-17(16)20(21,22)23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,24,26)
InChIKeySJDQYWNNBSJWAV-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.45
Rot. Bonds5

About N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide

N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide (PubChem CID 16835427) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
PubChem CID16835427
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC NameN-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C20H21F3N2O3S/c1-2-12-29(27,28)25-11-5-6-14-9-10-15(13-18(14)25)24-19(26)16-7-3-4-8-17(16)20(21,22)23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,24,26)
InChIKeySJDQYWNNBSJWAV-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751
2-(4-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636830
2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834941
N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
CID 16835489
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide
CID 27656037
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27656057
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide
CID 7517742

Frequently Asked Questions

What is the IUPAC name of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide (CID 16835427) is N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide is CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is SJDQYWNNBSJWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-2-12-29(27,28)25-11-5-6-14-9-10-15(13-18(14)25)24-19(26)16-7-3-4-8-17(16)20(21,22)23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,24,26).
What are the key properties of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide?
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 426.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16835427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).