N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide

C23H26N4O5S — CID 54782884

IUPACN-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)ncn1
InChIInChI=1S/C23H26N4O5S/c1-15(2)17-5-9-19(10-6-17)32-16(3)23(28)26-18-7-11-20(12-8-18)33(29,30)27-21-13-22(31-4)25-14-24-21/h5-16H,1-4H3,(H,26,28)(H,24,25,27)
InChIKeySGLSZBMPWYFEEY-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.82
Rot. Bonds9

About N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 54782884) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID54782884
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)ncn1
InChIInChI=1S/C23H26N4O5S/c1-15(2)17-5-9-19(10-6-17)32-16(3)23(28)26-18-7-11-20(12-8-18)33(29,30)27-21-13-22(31-4)25-14-24-21/h5-16H,1-4H3,(H,26,28)(H,24,25,27)
InChIKeySGLSZBMPWYFEEY-UHFFFAOYSA-N
XLogP3.82
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3917847
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 54783055
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 53266320
1-(3-chlorophenyl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 54782827
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782946
(2R)-2-(4-phenylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 1177983
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 5165415
3,4,5-trihydroxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 90479890
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 54782884) is N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)ncn1.
What is the InChIKey of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is SGLSZBMPWYFEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-15(2)17-5-9-19(10-6-17)32-16(3)23(28)26-18-7-11-20(12-8-18)33(29,30)27-21-13-22(31-4)25-14-24-21/h5-16H,1-4H3,(H,26,28)(H,24,25,27).
What are the key properties of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 470.55 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 54782884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).