4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

C23H26N4O5S — CID 561959

IUPAC4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESCC(C)(CO)C(OCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C23H26N4O5S/c1-23(2,16-28)20(32-15-17-7-4-3-5-8-17)21(29)26-18-9-11-19(12-10-18)33(30,31)27-22-24-13-6-14-25-22/h3-14,20,28H,15-16H2,1-2H3,(H,26,29)(H,24,25,27)
InChIKeyNISUTHFUBBTIJC-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.82
Rot. Bonds10

About 4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 561959) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID561959
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESCC(C)(CO)C(OCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C23H26N4O5S/c1-23(2,16-28)20(32-15-17-7-4-3-5-8-17)21(29)26-18-9-11-19(12-10-18)33(30,31)27-22-24-13-6-14-25-22/h3-14,20,28H,15-16H2,1-2H3,(H,26,29)(H,24,25,27)
InChIKeyNISUTHFUBBTIJC-UHFFFAOYSA-N
XLogP2.82
TPSA130.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 53266521
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
benzyl (3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]butanoate
CID 90671555
2-(4-phenylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2968466
2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2938093
(2R)-2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1304516
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849
(2R)-2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92681510
tert-butyl N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]carbamate
CID 17378668
2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
2-(4-fluorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2936144

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (CID 561959) is 4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is CC(C)(CO)C(OCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is NISUTHFUBBTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-23(2,16-28)20(32-15-17-7-4-3-5-8-17)21(29)26-18-9-11-19(12-10-18)33(30,31)27-22-24-13-6-14-25-22/h3-14,20,28H,15-16H2,1-2H3,(H,26,29)(H,24,25,27).
What are the key properties of 4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 470.55 g/mol, XLogP of 2.82, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 561959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).