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

C24H28N4O4S — CID 53266036

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide
SMILESCCCc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1
InChIInChI=1S/C24H28N4O4S/c1-5-6-19-7-11-21(12-8-19)32-18(4)23(29)27-20-9-13-22(14-10-20)33(30,31)28-24-25-16(2)15-17(3)26-24/h7-15,18H,5-6H2,1-4H3,(H,27,29)(H,25,26,28)
InChIKeyASXASMCFPHBWNA-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.25
Rot. Bonds9

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

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide (PubChem CID 53266036) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide
PubChem CID53266036
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide
SMILESCCCc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1
InChIInChI=1S/C24H28N4O4S/c1-5-6-19-7-11-21(12-8-19)32-18(4)23(29)27-20-9-13-22(14-10-20)33(30,31)28-24-25-16(2)15-17(3)26-24/h7-15,18H,5-6H2,1-4H3,(H,27,29)(H,25,26,28)
InChIKeyASXASMCFPHBWNA-UHFFFAOYSA-N
XLogP4.25
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
CID 53266709
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
(2S)-2-(4-ethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 42426801
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
2-(4-tert-butylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 43904932
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
CID 53266101
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942717
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide (CID 53266036) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide is CCCc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide?
The InChIKey is ASXASMCFPHBWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-5-6-19-7-11-21(12-8-19)32-18(4)23(29)27-20-9-13-22(14-10-20)33(30,31)28-24-25-16(2)15-17(3)26-24/h7-15,18H,5-6H2,1-4H3,(H,27,29)(H,25,26,28).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide has a molecular weight of 468.58 g/mol, XLogP of 4.25, 9 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-(4-propylphenoxy)propanamide is sourced from PubChem (CID 53266036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).