N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide

C18H26N6O3S — CID 122324763

IUPACN-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide
SMILESCCNc1cc(C)nc(NCCNS(=O)(=O)c2ccc(NC(C)=O)cc2C)n1
InChIInChI=1S/C18H26N6O3S/c1-5-19-17-11-13(3)22-18(24-17)20-8-9-21-28(26,27)16-7-6-15(10-12(16)2)23-14(4)25/h6-7,10-11,21H,5,8-9H2,1-4H3,(H,23,25)(H2,19,20,22,24)
InChIKeyNSZOIDZZXUZJBG-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.87
Rot. Bonds9

About N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide

N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide (PubChem CID 122324763) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide
PubChem CID122324763
Molecular FormulaC18H26N6O3S
Molecular Weight406.51 g/mol
Exact Mass406.18
IUPAC NameN-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide
SMILESCCNc1cc(C)nc(NCCNS(=O)(=O)c2ccc(NC(C)=O)cc2C)n1
InChIInChI=1S/C18H26N6O3S/c1-5-19-17-11-13(3)22-18(24-17)20-8-9-21-28(26,27)16-7-6-15(10-12(16)2)23-14(4)25/h6-7,10-11,21H,5,8-9H2,1-4H3,(H,23,25)(H2,19,20,22,24)
InChIKeyNSZOIDZZXUZJBG-UHFFFAOYSA-N
XLogP1.87
TPSA125.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-4-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethylsulfamoyl]phenyl]acetamide
CID 122294541
3-acetyl-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 122324729
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122324529
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122324764
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-difluorobenzenesulfonamide
CID 122324741
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 122324527
N-[4-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide
CID 122293238
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 122324772
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 70703973
N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide
CID 122327735
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112908412
N-[4-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 122354155

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide (CID 122324763) is N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide is CCNc1cc(C)nc(NCCNS(=O)(=O)c2ccc(NC(C)=O)cc2C)n1.
What is the InChIKey of N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide?
The InChIKey is NSZOIDZZXUZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-5-19-17-11-13(3)22-18(24-17)20-8-9-21-28(26,27)16-7-6-15(10-12(16)2)23-14(4)25/h6-7,10-11,21H,5,8-9H2,1-4H3,(H,23,25)(H2,19,20,22,24).
What are the key properties of N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide?
N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 1.87, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide is sourced from PubChem (CID 122324763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).