(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide

C23H22Cl2N2O4S — CID 93488130

IUPAC(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-3-21(31-22-7-5-4-6-15(22)2)23(28)26-17-9-11-18(12-10-17)32(29,30)27-20-13-8-16(24)14-19(20)25/h4-14,21,27H,3H2,1-2H3,(H,26,28)/t21-/m1/s1
InChIKeyRXKAJEZPJWJKIL-OAQYLSRUSA-N
MW493.41 g/mol
LogP5.90
Rot. Bonds8

About (2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide

(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide (PubChem CID 93488130) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is (2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
PubChem CID93488130
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC Name(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-3-21(31-22-7-5-4-6-15(22)2)23(28)26-17-9-11-18(12-10-17)32(29,30)27-20-13-8-16(24)14-19(20)25/h4-14,21,27H,3H2,1-2H3,(H,26,28)/t21-/m1/s1
InChIKeyRXKAJEZPJWJKIL-OAQYLSRUSA-N
XLogP5.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 94864467
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
CID 92678428
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43876669
(2S)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 99942375
2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
CID 28631697
2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 43885240
2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43908669

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide (CID 93488130) is (2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide is CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is RXKAJEZPJWJKIL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-3-21(31-22-7-5-4-6-15(22)2)23(28)26-17-9-11-18(12-10-17)32(29,30)27-20-13-8-16(24)14-19(20)25/h4-14,21,27H,3H2,1-2H3,(H,26,28)/t21-/m1/s1.
What are the key properties of (2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide has a molecular weight of 493.41 g/mol, XLogP of 5.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 93488130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).