N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide

C20H19FN4O4S — CID 2562410

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)n1
InChIInChI=1S/C20H19FN4O4S/c1-13-11-14(2)23-20(22-13)25-30(27,28)16-9-7-15(8-10-16)24-19(26)12-29-18-6-4-3-5-17(18)21/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyHYQZQBUDYQKJLR-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.05
Rot. Bonds7

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 2562410) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
PubChem CID2562410
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)n1
InChIInChI=1S/C20H19FN4O4S/c1-13-11-14(2)23-20(22-13)25-30(27,28)16-9-7-15(8-10-16)24-19(26)12-29-18-6-4-3-5-17(18)21/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyHYQZQBUDYQKJLR-UHFFFAOYSA-N
XLogP3.05
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-furamide
CID 986954
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenoxyacetamide
CID 1116398
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-o-tolyloxy-acetamide
CID 647000
2-(2-chlorophenoxy)-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)acetamide
CID 1014082
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1103426
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-m-tolyloxy-acetamide
CID 1144624
2-(4-tert-butylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1183047
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2,3,5-trimethylphenoxy)acetamide
CID 1192510
N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-ethoxyphenoxy)acetamide
CID 1193009
2-(4-tert-butylphenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1320787
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-4-o-tolyloxy-butyramide
CID 1564331
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 2142907

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide (CID 2562410) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is HYQZQBUDYQKJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-13-11-14(2)23-20(22-13)25-30(27,28)16-9-7-15(8-10-16)24-19(26)12-29-18-6-4-3-5-17(18)21/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 430.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 2562410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).