4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide

C21H24N6O3S — CID 18269725

IUPAC4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide
SMILESCCc1ccccc1Nc1nc(N)nc(CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C21H24N6O3S/c1-4-15-7-5-6-8-18(15)23-21-25-19(24-20(22)26-21)13-27(3)31(29,30)17-11-9-16(10-12-17)14(2)28/h5-12H,4,13H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyQGTDIGRIVCWAKU-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.78
Rot. Bonds8

About 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide

4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide (PubChem CID 18269725) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide
PubChem CID18269725
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC Name4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide
SMILESCCc1ccccc1Nc1nc(N)nc(CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C21H24N6O3S/c1-4-15-7-5-6-8-18(15)23-21-25-19(24-20(22)26-21)13-27(3)31(29,30)17-11-9-16(10-12-17)14(2)28/h5-12H,4,13H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyQGTDIGRIVCWAKU-UHFFFAOYSA-N
XLogP2.78
TPSA131.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylthiophene-2-sulfonamide
CID 18082640
2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N,N-diethylacetamide
CID 55410697
6-[[benzyl(ethyl)amino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 27157979
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2448637
2-N-(2-ethylphenyl)-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 4781340
4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 78767045
1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one
CID 18079129
6-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 55542551
6-[[1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-1-ium-1-yl]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 25375679
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 3,3-dimethylbutanoate
CID 7950853
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate
CID 7782044
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methoxyphenyl)acetate
CID 8792735

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide (CID 18269725) is 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide is CCc1ccccc1Nc1nc(N)nc(CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)n1.
What is the InChIKey of 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is QGTDIGRIVCWAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-4-15-7-5-6-8-18(15)23-21-25-19(24-20(22)26-21)13-27(3)31(29,30)17-11-9-16(10-12-17)14(2)28/h5-12H,4,13H2,1-3H3,(H3,22,23,24,25,26).
What are the key properties of 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide?
4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 440.53 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 18269725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).