N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide

C27H27N3O3S — CID 66690789

IUPACN-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide
SMILESCc1ccc(-n2c(C(C)N(C)S(=O)(=O)C=Cc3ccccc3)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C27H27N3O3S/c1-19-14-15-25(20(2)18-19)30-26(28-24-13-9-8-12-23(24)27(30)31)21(3)29(4)34(32,33)17-16-22-10-6-5-7-11-22/h5-18,21H,1-4H3
InChIKeyAUDMCSGNPZDYPZ-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.00
Rot. Bonds6

About N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide

N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide (PubChem CID 66690789) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide
PubChem CID66690789
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC NameN-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide
SMILESCc1ccc(-n2c(C(C)N(C)S(=O)(=O)C=Cc3ccccc3)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C27H27N3O3S/c1-19-14-15-25(20(2)18-19)30-26(28-24-13-9-8-12-23(24)27(30)31)21(3)29(4)34(32,33)17-16-22-10-6-5-7-11-22/h5-18,21H,1-4H3
InChIKeyAUDMCSGNPZDYPZ-UHFFFAOYSA-N
XLogP5.00
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 66690117
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-naphthalen-1-ylethanesulfonamide
CID 66689273
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42720157
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42719958
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955
4-chloro-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 42720229
N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 7236971
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42720522
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
CID 42720184
N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42720540
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 69101971

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide?
The IUPAC name of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide (CID 66690789) is N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide.
What is the SMILES notation for N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide?
The canonical SMILES for N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide is Cc1ccc(-n2c(C(C)N(C)S(=O)(=O)C=Cc3ccccc3)nc3ccccc3c2=O)c(C)c1.
What is the InChIKey of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide?
The InChIKey is AUDMCSGNPZDYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-19-14-15-25(20(2)18-19)30-26(28-24-13-9-8-12-23(24)27(30)31)21(3)29(4)34(32,33)17-16-22-10-6-5-7-11-22/h5-18,21H,1-4H3.
What are the key properties of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide?
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide has a molecular weight of 473.60 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide is sourced from PubChem (CID 66690789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).