N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine

C26H25N5O2S — CID 18559420

IUPACN-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine
SMILESCCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccccc12
InChIInChI=1S/C26H25N5O2S/c1-4-30(17-20-10-6-5-7-11-20)24-22-12-8-9-13-23(22)31-25(27-24)26(28-29-31)34(32,33)21-15-14-18(2)19(3)16-21/h5-16H,4,17H2,1-3H3
InChIKeyULOSTLVNGBFTHN-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.75
Rot. Bonds6

About N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine

N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 18559420) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID18559420
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine
SMILESCCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccccc12
InChIInChI=1S/C26H25N5O2S/c1-4-30(17-20-10-6-5-7-11-20)24-22-12-8-9-13-23(22)31-25(27-24)26(28-29-31)34(32,33)21-15-14-18(2)19(3)16-21/h5-16H,4,17H2,1-3H3
InChIKeyULOSTLVNGBFTHN-UHFFFAOYSA-N
XLogP4.75
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-methyl-N-[3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amine
CID 2136426
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-(Benzenesulfonyl)-N-(butan-2-YL)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 20878443
1-butyl-3-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1886648
N-[1-Butyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide
CID 1930124
N-[1-Allyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide
CID 1942142
N-butyl-10-(3,4-dimethylphenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 16019341
N-{3-[(3,4-Dimethylphenyl)sulfonyl]thieno[2,3-E][1,2,3]triazolo[1,5-A]pyrimidin-5-YL}-N-(4-fluorobenzyl)amine
CID 16019364
3-[(3,4-dimethylphenyl)sulfonyl]-N-(2-thienylmethyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 16019366

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine (CID 18559420) is N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine is CCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccccc12.
What is the InChIKey of N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is ULOSTLVNGBFTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-4-30(17-20-10-6-5-7-11-20)24-22-12-8-9-13-23(22)31-25(27-24)26(28-29-31)34(32,33)21-15-14-18(2)19(3)16-21/h5-16H,4,17H2,1-3H3.
What are the key properties of N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine?
N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 471.59 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,4-dimethylphenyl)sulfonyl-N-ethyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 18559420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).