N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine

C22H21N5O3S — CID 122195481

IUPACN-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cccc(-c4ccccn4)c3)nn2)c1
InChIInChI=1S/C22H21N5O3S/c1-3-31(28,29)18-10-11-21(30-2)20(14-18)24-22-15-27(26-25-22)17-8-6-7-16(13-17)19-9-4-5-12-23-19/h4-15,24H,3H2,1-2H3
InChIKeyUUTWVNZEPNZADQ-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.88
Rot. Bonds7

About N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine

N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine (PubChem CID 122195481) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine
PubChem CID122195481
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cccc(-c4ccccn4)c3)nn2)c1
InChIInChI=1S/C22H21N5O3S/c1-3-31(28,29)18-10-11-21(30-2)20(14-18)24-22-15-27(26-25-22)17-8-6-7-16(13-17)19-9-4-5-12-23-19/h4-15,24H,3H2,1-2H3
InChIKeyUUTWVNZEPNZADQ-UHFFFAOYSA-N
XLogP3.88
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-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

[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(2-methoxy-phenyl)-amine
CID 57502380
4-[4-(5-Ethylsulfonyl-2-methoxyanilino)triazol-1-yl]-2-pyridin-2-ylphenol
CID 137028534
[4-[4-(5-Ethylsulfonyl-2-methoxyanilino)triazol-1-yl]-2-naphthalen-1-ylphenyl]urea
CID 122195476
1-(2,6-diphenylpyrimidin-4-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)triazol-4-amine
CID 122195478
4-[4-(5-Ethylsulfonyl-2-methoxyanilino)triazol-1-yl]-2-pyridin-3-ylphenol
CID 122195479
N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine
CID 122195480
4-[4-(5-ethylsulfonyl-2-methoxyanilino)triazol-1-yl]-2-(1H-pyrrol-3-yl)phenol
CID 137028533
1-[2-(difluoromethoxy)-5-(2-methoxyethylsulfonyl)phenyl]-N-(3-methoxypyrazin-2-yl)-3-methylpyrazolo[4,3-c]pyridin-6-amine
CID 176101871
2-methoxy-N-[1-(2-methoxy-5-pyridin-4-ylphenyl)triazol-4-yl]benzenesulfonamide
CID 178301545
4-N-(2,3-dimethylindazol-6-yl)-2-N-(5-ethylsulfonyl-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 10183436
7-(3-bromophenyl)-N-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11785354
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(5-ethylsulfonyl-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 53475773

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine?
The IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine (CID 122195481) is N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine.
What is the SMILES notation for N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine?
The canonical SMILES for N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine is CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cccc(-c4ccccn4)c3)nn2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine?
The InChIKey is UUTWVNZEPNZADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-3-31(28,29)18-10-11-21(30-2)20(14-18)24-22-15-27(26-25-22)17-8-6-7-16(13-17)19-9-4-5-12-23-19/h4-15,24H,3H2,1-2H3.
What are the key properties of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine?
N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine has a molecular weight of 435.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine is sourced from PubChem (CID 122195481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).