N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide

C25H23N5O3S — CID 34062207

IUPACN-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide
SMILESCCn1c(=O)c2ccccc2n2c(CN(c3ccccc3)S(=O)(=O)c3cccc(C)c3)nnc12
InChIInChI=1S/C25H23N5O3S/c1-3-28-24(31)21-14-7-8-15-22(21)30-23(26-27-25(28)30)17-29(19-11-5-4-6-12-19)34(32,33)20-13-9-10-18(2)16-20/h4-16H,3,17H2,1-2H3
InChIKeyYRUAHZDWAUQTIZ-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.77
Rot. Bonds6

About N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide

N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide (PubChem CID 34062207) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide
PubChem CID34062207
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide
SMILESCCn1c(=O)c2ccccc2n2c(CN(c3ccccc3)S(=O)(=O)c3cccc(C)c3)nnc12
InChIInChI=1S/C25H23N5O3S/c1-3-28-24(31)21-14-7-8-15-22(21)30-23(26-27-25(28)30)17-29(19-11-5-4-6-12-19)34(32,33)20-13-9-10-18(2)16-20/h4-16H,3,17H2,1-2H3
InChIKeyYRUAHZDWAUQTIZ-UHFFFAOYSA-N
XLogP3.77
TPSA89.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide (CID 34062207) is N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide is CCn1c(=O)c2ccccc2n2c(CN(c3ccccc3)S(=O)(=O)c3cccc(C)c3)nnc12.
What is the InChIKey of N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide?
The InChIKey is YRUAHZDWAUQTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-3-28-24(31)21-14-7-8-15-22(21)30-23(26-27-25(28)30)17-29(19-11-5-4-6-12-19)34(32,33)20-13-9-10-18(2)16-20/h4-16H,3,17H2,1-2H3.
What are the key properties of N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide?
N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide has a molecular weight of 473.56 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-3-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 34062207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).