N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide

C19H19F3N4O2S — CID 26349972

IUPACN-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C19H19F3N4O2S/c1-2-29(27,28)24-12-17-25-16-9-4-3-8-15(16)18(26-17)23-11-13-6-5-7-14(10-13)19(20,21)22/h3-10,24H,2,11-12H2,1H3,(H,23,25,26)
InChIKeyDWMSHRFXRLQDPD-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.70
Rot. Bonds7

About N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide

N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide (PubChem CID 26349972) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide
PubChem CID26349972
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC NameN-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C19H19F3N4O2S/c1-2-29(27,28)24-12-17-25-16-9-4-3-8-15(16)18(26-17)23-11-13-6-5-7-14(10-13)19(20,21)22/h3-10,24H,2,11-12H2,1H3,(H,23,25,26)
InChIKeyDWMSHRFXRLQDPD-UHFFFAOYSA-N
XLogP3.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide
CID 42470959
3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide
CID 42483287
2-chloro-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]pyridine-4-carboxamide
CID 26361398
2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 69222459
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 16674346
N',N'-dimethyl-N-[2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 58809619
N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
CID 58523909
7-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 142682778
N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine
CID 90896586

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide (CID 26349972) is N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1.
What is the InChIKey of N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide?
The InChIKey is DWMSHRFXRLQDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-2-29(27,28)24-12-17-25-16-9-4-3-8-15(16)18(26-17)23-11-13-6-5-7-14(10-13)19(20,21)22/h3-10,24H,2,11-12H2,1H3,(H,23,25,26).
What are the key properties of N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide?
N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide has a molecular weight of 424.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 26349972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).