N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide

C19H19F3N4O3S — CID 146714109

IUPACN-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(=O)n(-c2ccccc2C)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H19F3N4O3S/c1-12-5-3-4-6-15(12)26-16-11-13(19(20,21)22)7-8-14(16)17(25-18(26)27)24-9-10-30(28,29)23-2/h3-8,11,23H,9-10H2,1-2H3,(H,24,25,27)
InChIKeyRCZJCIBGSCMUKG-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.67
Rot. Bonds6

About N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide

N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide (PubChem CID 146714109) has the molecular formula C19H19F3N4O3S and a molecular weight of 440.45 g/mol. Its IUPAC name is N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide
PubChem CID146714109
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC NameN-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(=O)n(-c2ccccc2C)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H19F3N4O3S/c1-12-5-3-4-6-15(12)26-16-11-13(19(20,21)22)7-8-14(16)17(25-18(26)27)24-9-10-30(28,29)23-2/h3-8,11,23H,9-10H2,1-2H3,(H,24,25,27)
InChIKeyRCZJCIBGSCMUKG-UHFFFAOYSA-N
XLogP2.67
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide (CID 146714109) is N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide is CNS(=O)(=O)CCNc1nc(=O)n(-c2ccccc2C)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide?
The InChIKey is RCZJCIBGSCMUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c1-12-5-3-4-6-15(12)26-16-11-13(19(20,21)22)7-8-14(16)17(25-18(26)27)24-9-10-30(28,29)23-2/h3-8,11,23H,9-10H2,1-2H3,(H,24,25,27).
What are the key properties of N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide?
N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide has a molecular weight of 440.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)quinazolin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 146714109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).