N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide

C16H22N6O4S — CID 121137623

IUPACN-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2C)nc(N(C)C)n1
InChIInChI=1S/C16H22N6O4S/c1-10-8-12(18-11(2)23)6-7-13(10)27(24,25)17-9-14-19-15(22(3)4)21-16(20-14)26-5/h6-8,17H,9H2,1-5H3,(H,18,23)
InChIKeyUWMZTQUNEVAUJH-UHFFFAOYSA-N
MW394.46 g/mol
LogP0.69
Rot. Bonds7

About N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide

N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide (PubChem CID 121137623) has the molecular formula C16H22N6O4S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide
PubChem CID121137623
Molecular FormulaC16H22N6O4S
Molecular Weight394.46 g/mol
Exact Mass394.14
IUPAC NameN-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2C)nc(N(C)C)n1
InChIInChI=1S/C16H22N6O4S/c1-10-8-12(18-11(2)23)6-7-13(10)27(24,25)17-9-14-19-15(22(3)4)21-16(20-14)26-5/h6-8,17H,9H2,1-5H3,(H,18,23)
InChIKeyUWMZTQUNEVAUJH-UHFFFAOYSA-N
XLogP0.69
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 122354155
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122253077
3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122253095
2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide
CID 121137631
1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea
CID 122252907
N-[4-[[2-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-3-methylphenyl]acetamide
CID 121145655
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 122252830
N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide
CID 122324763
N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]acetamide
CID 766782
N-(3-acetamidophenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999711
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]-3-methylphenyl]acetamide
CID 42389371

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide (CID 121137623) is N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide is COc1nc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2C)nc(N(C)C)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide?
The InChIKey is UWMZTQUNEVAUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4S/c1-10-8-12(18-11(2)23)6-7-13(10)27(24,25)17-9-14-19-15(22(3)4)21-16(20-14)26-5/h6-8,17H,9H2,1-5H3,(H,18,23).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide?
N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide has a molecular weight of 394.46 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide is sourced from PubChem (CID 121137623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).