2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate

C23H24N4O6S — CID 54782879

IUPAC2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)OCCc3ccccc3)cc2)ncn1
InChIInChI=1S/C23H24N4O6S/c1-32-22-15-20(24-16-25-22)27-34(30,31)19-9-7-18(8-10-19)26-21(28)11-12-23(29)33-14-13-17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyDVNWQGXKQCGONA-UHFFFAOYSA-N
MW484.53 g/mol
LogP2.79
Rot. Bonds11

About 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate

2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate (PubChem CID 54782879) has the molecular formula C23H24N4O6S and a molecular weight of 484.53 g/mol. Its IUPAC name is 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate.

Molecular Properties

Compound Name2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate
PubChem CID54782879
Molecular FormulaC23H24N4O6S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC Name2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)OCCc3ccccc3)cc2)ncn1
InChIInChI=1S/C23H24N4O6S/c1-32-22-15-20(24-16-25-22)27-34(30,31)19-9-7-18(8-10-19)26-21(28)11-12-23(29)33-14-13-17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyDVNWQGXKQCGONA-UHFFFAOYSA-N
XLogP2.79
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate with MolForge

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Related Compounds

2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate
CID 4946640
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782946
2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate
CID 4946832
2-methoxyethyl 4-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-4-oxobutanoate
CID 17339082
3-phenylpropyl 5-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-oxopentanoate
CID 4923292
2-(2,5-dimethylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 54782870
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 5165415
2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 54782829
ethyl (E)-4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 54783018
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]octanamide
CID 54783345
1-(3-chlorophenyl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 54782827
3-phenylpropyl 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-oxobutanoate
CID 4934226

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate?
The IUPAC name of 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate (CID 54782879) is 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate.
What is the SMILES notation for 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate?
The canonical SMILES for 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate is COc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)OCCc3ccccc3)cc2)ncn1.
What is the InChIKey of 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate?
The InChIKey is DVNWQGXKQCGONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S/c1-32-22-15-20(24-16-25-22)27-34(30,31)19-9-7-18(8-10-19)26-21(28)11-12-23(29)33-14-13-17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,26,28)(H,24,25,27).
What are the key properties of 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate?
2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate has a molecular weight of 484.53 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate is sourced from PubChem (CID 54782879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).