(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide

C23H23ClN2O5S — CID 92677148

IUPAC(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-3-22(31-20-6-4-5-16(24)15-20)23(27)25-17-9-13-21(14-10-17)32(28,29)26-18-7-11-19(30-2)12-8-18/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyZELZKFZLPYXCNE-JOCHJYFZSA-N
MW474.97 g/mol
LogP4.95
Rot. Bonds9

About (2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide

(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide (PubChem CID 92677148) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
PubChem CID92677148
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-3-22(31-20-6-4-5-16(24)15-20)23(27)25-17-9-13-21(14-10-17)32(28,29)26-18-7-11-19(30-2)12-8-18/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyZELZKFZLPYXCNE-JOCHJYFZSA-N
XLogP4.95
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide (CID 92677148) is (2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide is CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is ZELZKFZLPYXCNE-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-3-22(31-20-6-4-5-16(24)15-20)23(27)25-17-9-13-21(14-10-17)32(28,29)26-18-7-11-19(30-2)12-8-18/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide?
(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 474.97 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 92677148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).