N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide

C15H19N5O3S — CID 22965457

IUPACN-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(C)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H19N5O3S/c1-9(12-5-7-13(8-6-12)24(4,22)23)16-14-17-10(2)18-15(20-14)19-11(3)21/h5-9H,1-4H3,(H2,16,17,18,19,20,21)
InChIKeyKCXJVOKOVNEPFO-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.72
Rot. Bonds5

About N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide

N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide (PubChem CID 22965457) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide
PubChem CID22965457
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(C)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H19N5O3S/c1-9(12-5-7-13(8-6-12)24(4,22)23)16-14-17-10(2)18-15(20-14)19-11(3)21/h5-9H,1-4H3,(H2,16,17,18,19,20,21)
InChIKeyKCXJVOKOVNEPFO-UHFFFAOYSA-N
XLogP1.72
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide 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

4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
CID 94006047
2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965428
N-[4-[1-(furan-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874367
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 134704423
methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 160849117
N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874327
N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
CID 15390076
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43196698
5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 72876342
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[4-methyl-6-[4-(5-methylthiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]acetamide
CID 22091002
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide (CID 22965457) is N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(C)nc(NC(C)c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide?
The InChIKey is KCXJVOKOVNEPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-9(12-5-7-13(8-6-12)24(4,22)23)16-14-17-10(2)18-15(20-14)19-11(3)21/h5-9H,1-4H3,(H2,16,17,18,19,20,21).
What are the key properties of N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide?
N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide has a molecular weight of 349.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 22965457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).