N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide

C20H21N5O4S — CID 42474727

IUPACN-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc(C)n1
InChIInChI=1S/C20H21N5O4S/c1-13-21-19(12-20(22-13)29-3)24-16-4-6-17(7-5-16)25-30(27,28)18-10-8-15(9-11-18)23-14(2)26/h4-12,25H,1-3H3,(H,23,26)(H,21,22,24)
InChIKeyXLHGQCTWWKUGHJ-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.30
Rot. Bonds7

About N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 42474727) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID42474727
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc(C)n1
InChIInChI=1S/C20H21N5O4S/c1-13-21-19(12-20(22-13)29-3)24-16-4-6-17(7-5-16)25-30(27,28)18-10-8-15(9-11-18)23-14(2)26/h4-12,25H,1-3H3,(H,23,26)(H,21,22,24)
InChIKeyXLHGQCTWWKUGHJ-UHFFFAOYSA-N
XLogP3.30
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474850
2-chloro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474755
N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide
CID 42065449
N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42065482
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
4-chloro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474856
N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
CID 25035779
3,4-dimethoxy-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297617
N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474846
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
4-methoxy-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072880

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide (CID 42474727) is N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide is COc1cc(Nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is XLHGQCTWWKUGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-13-21-19(12-20(22-13)29-3)24-16-4-6-17(7-5-16)25-30(27,28)18-10-8-15(9-11-18)23-14(2)26/h4-12,25H,1-3H3,(H,23,26)(H,21,22,24).
What are the key properties of N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 427.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 42474727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).