N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide

C19H17F3N2O3S — CID 163235834

IUPACN-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1Cc2ccccc2N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H17F3N2O3S/c1-2-18(25)23-15-11-13-5-3-4-6-17(13)24(12-15)28(26,27)16-9-7-14(8-10-16)19(20,21)22/h2-10,15H,1,11-12H2,(H,23,25)
InChIKeyTXWKAMAOJRQFEX-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.13
Rot. Bonds4

About N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide

N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide (PubChem CID 163235834) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
PubChem CID163235834
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC NameN-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1Cc2ccccc2N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H17F3N2O3S/c1-2-18(25)23-15-11-13-5-3-4-6-17(13)24(12-15)28(26,27)16-9-7-14(8-10-16)19(20,21)22/h2-10,15H,1,11-12H2,(H,23,25)
InChIKeyTXWKAMAOJRQFEX-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235851
tert-butyl N-[1-(4-aminophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 59400239
N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235831
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
CID 170679886
N-[5-cyano-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235790
2-[(3R)-3-(prop-2-enoylamino)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]acetic acid
CID 175994010
3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 60534914
N-[5-[(3-fluorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235976
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 119975170
4-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53096508
1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126662522

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide (CID 163235834) is N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide is C=CC(=O)NC1Cc2ccccc2N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
The InChIKey is TXWKAMAOJRQFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c1-2-18(25)23-15-11-13-5-3-4-6-17(13)24(12-15)28(26,27)16-9-7-14(8-10-16)19(20,21)22/h2-10,15H,1,11-12H2,(H,23,25).
What are the key properties of N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide has a molecular weight of 410.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide is sourced from PubChem (CID 163235834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).