4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

C24H28N4O4S — CID 2072355

IUPAC4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)ccc1C(C)C
InChIInChI=1S/C24H28N4O4S/c1-17(2)22-12-9-20(16-18(22)3)32-15-4-6-23(29)27-19-7-10-21(11-8-19)33(30,31)28-24-25-13-5-14-26-24/h5,7-14,16-17H,4,6,15H2,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyCUTQKWLFCZYFFX-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.51
Rot. Bonds10

About 4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 2072355) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID2072355
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)ccc1C(C)C
InChIInChI=1S/C24H28N4O4S/c1-17(2)22-12-9-20(16-18(22)3)32-15-4-6-23(29)27-19-7-10-21(11-8-19)33(30,31)28-24-25-13-5-14-26-24/h5,7-14,16-17H,4,6,15H2,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyCUTQKWLFCZYFFX-UHFFFAOYSA-N
XLogP4.51
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072293
4-(3-methyl-4-propan-2-ylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 2072259
2-(4-chloro-3-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1183039
4-(2-bromo-4-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 19202578
methyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 2072267
cyclohexyl 4-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19237132
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19221516
N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072237
4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19176564
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19553877
(2R)-2-(3,5-dimethylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1305241

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide (CID 2072355) is 4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is Cc1cc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)ccc1C(C)C.
What is the InChIKey of 4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is CUTQKWLFCZYFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17(2)22-12-9-20(16-18(22)3)32-15-4-6-23(29)27-19-7-10-21(11-8-19)33(30,31)28-24-25-13-5-14-26-24/h5,7-14,16-17H,4,6,15H2,1-3H3,(H,27,29)(H,25,26,28).
What are the key properties of 4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide?
4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 468.58 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 2072355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).