3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine

C25H23N5O2S — CID 18559732

IUPAC3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCCc1ccccc1Nc1nc2c(S(=O)(=O)c3cc(C)ccc3C)nnn2c2ccccc12
InChIInChI=1S/C25H23N5O2S/c1-4-18-9-5-7-11-20(18)26-23-19-10-6-8-12-21(19)30-24(27-23)25(28-29-30)33(31,32)22-15-16(2)13-14-17(22)3/h5-15H,4H2,1-3H3,(H,26,27)
InChIKeyZOOGOSAGNCTVJX-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.03
Rot. Bonds5

About 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine

3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 18559732) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID18559732
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC Name3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCCc1ccccc1Nc1nc2c(S(=O)(=O)c3cc(C)ccc3C)nnn2c2ccccc12
InChIInChI=1S/C25H23N5O2S/c1-4-18-9-5-7-11-20(18)26-23-19-10-6-8-12-21(19)30-24(27-23)25(28-29-30)33(31,32)22-15-16(2)13-14-17(22)3/h5-15H,4H2,1-3H3,(H,26,27)
InChIKeyZOOGOSAGNCTVJX-UHFFFAOYSA-N
XLogP5.03
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-N-[3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amine
CID 2136426
UTA1inh-D1
CID 16019508
3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
CID 2136382
3-(Benzenesulfonyl)-N-(2-methylcyclohexyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 18559434
3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine
CID 20878431
N-(2-chlorobenzyl)-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20878435
3-(phenylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20878441
3-(Benzenesulfonyl)-N-(butan-2-YL)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 20878443
N-cyclopentyl-N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine
CID 16019514
N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(2-thienylmethyl)amine
CID 16019519
3-(2,5-dimethylphenylsulfonyl)-N-(1-phenylethyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 20901217
3-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
CID 6623051

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine (CID 18559732) is 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine is CCc1ccccc1Nc1nc2c(S(=O)(=O)c3cc(C)ccc3C)nnn2c2ccccc12.
What is the InChIKey of 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is ZOOGOSAGNCTVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-4-18-9-5-7-11-20(18)26-23-19-10-6-8-12-21(19)30-24(27-23)25(28-29-30)33(31,32)22-15-16(2)13-14-17(22)3/h5-15H,4H2,1-3H3,(H,26,27).
What are the key properties of 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine?
3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 457.56 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)sulfonyl-N-(2-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 18559732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).