N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

C24H20F3N3O3S — CID 42715735

IUPACN-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N3O3S/c1-16(29(2)34(32,33)19-12-8-9-17(15-19)24(25,26)27)22-28-21-14-7-6-13-20(21)23(31)30(22)18-10-4-3-5-11-18/h3-16H,1-2H3
InChIKeyJTVUMHSQHFQPCO-UHFFFAOYSA-N
MW487.50 g/mol
LogP4.79
Rot. Bonds5

About N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 42715735) has the molecular formula C24H20F3N3O3S and a molecular weight of 487.50 g/mol. Its IUPAC name is N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID42715735
Molecular FormulaC24H20F3N3O3S
Molecular Weight487.50 g/mol
Exact Mass487.12
IUPAC NameN-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N3O3S/c1-16(29(2)34(32,33)19-12-8-9-17(15-19)24(25,26)27)22-28-21-14-7-6-13-20(21)23(31)30(22)18-10-4-3-5-11-18/h3-16H,1-2H3
InChIKeyJTVUMHSQHFQPCO-UHFFFAOYSA-N
XLogP4.79
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
CID 66689029
4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 66689067
N-[1-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 10289039
2-tert-butyl-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide
CID 67073461
4-tert-butyl-N-[1-[3-[4-(2-methoxyphenyl)phenyl]-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 66690041
4-tert-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 10196000
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide
CID 42720888
2-[1-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]propyl]isoindole-1,3-dione
CID 2972435
4-tert-butyl-N-methyl-N-[1-[4-oxo-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinazolin-2-yl]ethyl]benzenesulfonamide
CID 66689264
4-methoxy-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 42720890
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
CID 3274499
4-chloro-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 42720229

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 42715735) is N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is CC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JTVUMHSQHFQPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3S/c1-16(29(2)34(32,33)19-12-8-9-17(15-19)24(25,26)27)22-28-21-14-7-6-13-20(21)23(31)30(22)18-10-4-3-5-11-18/h3-16H,1-2H3.
What are the key properties of N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 487.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 42715735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).