(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide

C25H28N2O5S — CID 30384301

IUPAC(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C25H28N2O5S/c1-5-23(32-21-11-7-10-20(16-21)31-4)25(28)26-19-12-14-22(15-13-19)33(29,30)27-24-17(2)8-6-9-18(24)3/h6-16,23,27H,5H2,1-4H3,(H,26,28)/t23-/m1/s1
InChIKeyAISUNQLQFYEVCC-HSZRJFAPSA-N
MW468.58 g/mol
LogP4.91
Rot. Bonds9

About (2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide

(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide (PubChem CID 30384301) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is (2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
PubChem CID30384301
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C25H28N2O5S/c1-5-23(32-21-11-7-10-20(16-21)31-4)25(28)26-19-12-14-22(15-13-19)33(29,30)27-24-17(2)8-6-9-18(24)3/h6-16,23,27H,5H2,1-4H3,(H,26,28)/t23-/m1/s1
InChIKeyAISUNQLQFYEVCC-HSZRJFAPSA-N
XLogP4.91
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43908669
N-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxybutanamide
CID 132672040
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 94015658
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 43907526
2-(3-methoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 43910258
(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677148
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43876669
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)butanamide
CID 4928483
(2R)-N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679130
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 28636606
(2R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076240

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide (CID 30384301) is (2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide is CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of (2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide?
The InChIKey is AISUNQLQFYEVCC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-5-23(32-21-11-7-10-20(16-21)31-4)25(28)26-19-12-14-22(15-13-19)33(29,30)27-24-17(2)8-6-9-18(24)3/h6-16,23,27H,5H2,1-4H3,(H,26,28)/t23-/m1/s1.
What are the key properties of (2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide?
(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide has a molecular weight of 468.58 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 30384301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).