N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide

C22H24N4O4S — CID 24979510

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-4-8-19(9-5-15)30-13-12-22(27)25-18-6-10-20(11-7-18)31(28,29)26-21-14-16(2)23-17(3)24-21/h4-11,14H,12-13H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyBZKWCFAMYSVAJA-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.61
Rot. Bonds8

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide (PubChem CID 24979510) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
PubChem CID24979510
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-4-8-19(9-5-15)30-13-12-22(27)25-18-6-10-20(11-7-18)31(28,29)26-21-14-16(2)23-17(3)24-21/h4-11,14H,12-13H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyBZKWCFAMYSVAJA-UHFFFAOYSA-N
XLogP3.61
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide (CID 24979510) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide?
The InChIKey is BZKWCFAMYSVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-4-8-19(9-5-15)30-13-12-22(27)25-18-6-10-20(11-7-18)31(28,29)26-21-14-16(2)23-17(3)24-21/h4-11,14H,12-13H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide has a molecular weight of 440.53 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 24979510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).