(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide

C22H24N4O4S — CID 92672537

IUPAC(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C22H24N4O4S/c1-4-19(30-20-8-6-5-7-15(20)2)21(27)25-17-9-11-18(12-10-17)31(28,29)26-22-23-14-13-16(3)24-22/h5-14,19H,4H2,1-3H3,(H,25,27)(H,23,24,26)/t19-/m1/s1
InChIKeyPLLSJLHHCBGSHE-LJQANCHMSA-N
MW440.53 g/mol
LogP3.69
Rot. Bonds8

About (2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide

(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide (PubChem CID 92672537) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
PubChem CID92672537
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C22H24N4O4S/c1-4-19(30-20-8-6-5-7-15(20)2)21(27)25-17-9-11-18(12-10-17)31(28,29)26-22-23-14-13-16(3)24-22/h5-14,19H,4H2,1-3H3,(H,25,27)(H,23,24,26)/t19-/m1/s1
InChIKeyPLLSJLHHCBGSHE-LJQANCHMSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 43885240
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 28570993
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 54782642
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
CID 1273275
(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
(2R)-2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92681510
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
[1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
CID 25038111
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)butanamide
CID 43908051
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
The IUPAC name of (2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide (CID 92672537) is (2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide is CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
The InChIKey is PLLSJLHHCBGSHE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-4-19(30-20-8-6-5-7-15(20)2)21(27)25-17-9-11-18(12-10-17)31(28,29)26-22-23-14-13-16(3)24-22/h5-14,19H,4H2,1-3H3,(H,25,27)(H,23,24,26)/t19-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide has a molecular weight of 440.53 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 92672537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).