N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide

C24H24F3N3O2S — CID 42735167

IUPACN-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H24F3N3O2S/c1-15(21(31)28-17-9-3-2-4-10-17)33-23-29-20-13-6-5-12-19(20)22(32)30(23)18-11-7-8-16(14-18)24(25,26)27/h5-8,11-15,17H,2-4,9-10H2,1H3,(H,28,31)
InChIKeyJFIQRESIRQRYHF-UHFFFAOYSA-N
MW475.54 g/mol
LogP5.33
Rot. Bonds5

About N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide

N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide (PubChem CID 42735167) has the molecular formula C24H24F3N3O2S and a molecular weight of 475.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide
PubChem CID42735167
Molecular FormulaC24H24F3N3O2S
Molecular Weight475.54 g/mol
Exact Mass475.15
IUPAC NameN-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H24F3N3O2S/c1-15(21(31)28-17-9-3-2-4-10-17)33-23-29-20-13-6-5-12-19(20)22(32)30(23)18-11-7-8-16(14-18)24(25,26)27/h5-8,11-15,17H,2-4,9-10H2,1H3,(H,28,31)
InChIKeyJFIQRESIRQRYHF-UHFFFAOYSA-N
XLogP5.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.54
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopentyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631950
(2S)-N-cyclopentyl-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631681
(2S)-N-cyclopentyl-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7501251
(2S)-N-cyclopentyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631822
N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3949503
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42977783
N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3620871
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
CID 40681888
2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-N-pentylbutanamide
CID 42735235

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide (CID 42735167) is N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide is CC(Sc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide?
The InChIKey is JFIQRESIRQRYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S/c1-15(21(31)28-17-9-3-2-4-10-17)33-23-29-20-13-6-5-12-19(20)22(32)30(23)18-11-7-8-16(14-18)24(25,26)27/h5-8,11-15,17H,2-4,9-10H2,1H3,(H,28,31).
What are the key properties of N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide?
N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide has a molecular weight of 475.54 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 42735167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).