2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C13H14N4O4S — CID 700857

IUPAC2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C13H14N4O4S/c1-21-9-12(18)16-10-3-5-11(6-4-10)22(19,20)17-13-14-7-2-8-15-13/h2-8H,9H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyJLWQXBVCSILUQT-UHFFFAOYSA-N
MW322.35 g/mol
LogP0.86
Rot. Bonds6

About 2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 700857) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID700857
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC Name2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C13H14N4O4S/c1-21-9-12(18)16-10-3-5-11(6-4-10)22(19,20)17-13-14-7-2-8-15-13/h2-8H,9H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyJLWQXBVCSILUQT-UHFFFAOYSA-N
XLogP0.86
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2597985
2-(2-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1164310
2-(4-chloro-3-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1183039
2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 6493238
4-[[4-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]benzamide
CID 30805411
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 108794988
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 12042500
N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]-2-methoxyacetamide
CID 55573376
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 700857) is 2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is COCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is JLWQXBVCSILUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S/c1-21-9-12(18)16-10-3-5-11(6-4-10)22(19,20)17-13-14-7-2-8-15-13/h2-8H,9H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of 2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 322.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 700857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).