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

C20H20N4O4S — CID 1116398

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1
InChIInChI=1S/C20H20N4O4S/c1-14-12-15(2)22-20(21-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)13-28-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyLAMSAFOJSIPSQZ-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.91
Rot. Bonds7

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

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide (PubChem CID 1116398) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
PubChem CID1116398
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1
InChIInChI=1S/C20H20N4O4S/c1-14-12-15(2)22-20(21-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)13-28-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyLAMSAFOJSIPSQZ-UHFFFAOYSA-N
XLogP2.91
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 987078
2-(2,6-dimethylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 1015505
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 5157338
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948
2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 92681019
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 659894
2-(4-bromophenoxy)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 3344248
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782946
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 1039155
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271029

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide (CID 1116398) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide?
The InChIKey is LAMSAFOJSIPSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-14-12-15(2)22-20(21-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)13-28-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide has a molecular weight of 412.47 g/mol, XLogP of 2.91, 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-phenoxyacetamide is sourced from PubChem (CID 1116398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).