N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

C22H28N6O3S2 — CID 122296926

IUPACN-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(CNC(C)=O)s3)cc2)nc(C)n1
InChIInChI=1S/C22H28N6O3S2/c1-5-28(6-2)21-13-20(24-15(3)25-21)26-17-7-9-18(10-8-17)27-33(30,31)22-12-11-19(32-22)14-23-16(4)29/h7-13,27H,5-6,14H2,1-4H3,(H,23,29)(H,24,25,26)
InChIKeyMKNDUYVQIXBWTJ-UHFFFAOYSA-N
MW488.64 g/mol
LogP3.87
Rot. Bonds10

About N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 122296926) has the molecular formula C22H28N6O3S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID122296926
Molecular FormulaC22H28N6O3S2
Molecular Weight488.64 g/mol
Exact Mass488.17
IUPAC NameN-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(CNC(C)=O)s3)cc2)nc(C)n1
InChIInChI=1S/C22H28N6O3S2/c1-5-28(6-2)21-13-20(24-15(3)25-21)26-17-7-9-18(10-8-17)27-33(30,31)22-12-11-19(32-22)14-23-16(4)29/h7-13,27H,5-6,14H2,1-4H3,(H,23,29)(H,24,25,26)
InChIKeyMKNDUYVQIXBWTJ-UHFFFAOYSA-N
XLogP3.87
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide with MolForge

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Related Compounds

5-chloro-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
CID 122296879
N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
CID 46270820
N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122326208
N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122292418
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzenesulfonamide
CID 50752358
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-ethylbenzenesulfonamide
CID 122296687
N-[[5-[[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122287728
ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate
CID 16553849
N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553889
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122296928
N-[[5-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122293527

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 122296926) is N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(CNC(C)=O)s3)cc2)nc(C)n1.
What is the InChIKey of N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is MKNDUYVQIXBWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S2/c1-5-28(6-2)21-13-20(24-15(3)25-21)26-17-7-9-18(10-8-17)27-33(30,31)22-12-11-19(32-22)14-23-16(4)29/h7-13,27H,5-6,14H2,1-4H3,(H,23,29)(H,24,25,26).
What are the key properties of N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 488.64 g/mol, XLogP of 3.87, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 122296926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).