(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide

C28H28N2O4S — CID 92679459

IUPAC(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C28H28N2O4S/c1-4-26(34-27-11-7-9-21-8-5-6-10-24(21)27)28(31)29-22-13-15-23(16-14-22)35(32,33)30-25-17-12-19(2)18-20(25)3/h5-18,26,30H,4H2,1-3H3,(H,29,31)/t26-/m1/s1
InChIKeyVAVQSQXRTHDNLC-AREMUKBSSA-N
MW488.61 g/mol
LogP6.05
Rot. Bonds8

About (2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide

(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 92679459) has the molecular formula C28H28N2O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is (2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
PubChem CID92679459
Molecular FormulaC28H28N2O4S
Molecular Weight488.61 g/mol
Exact Mass488.18
IUPAC Name(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C28H28N2O4S/c1-4-26(34-27-11-7-9-21-8-5-6-10-24(21)27)28(31)29-22-13-15-23(16-14-22)35(32,33)30-25-17-12-19(2)18-20(25)3/h5-18,26,30H,4H2,1-3H3,(H,29,31)/t26-/m1/s1
InChIKeyVAVQSQXRTHDNLC-AREMUKBSSA-N
XLogP6.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,5-dimethylphenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]butanamide
CID 99949850
(2R)-2-naphthalen-1-yloxy-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 92681695
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide
CID 92671713
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
CID 46771281
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43915545
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 28636606
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
CID 28631697
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43876669
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide (CID 92679459) is (2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide is CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of (2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is VAVQSQXRTHDNLC-AREMUKBSSA-N. The full InChI is InChI=1S/C28H28N2O4S/c1-4-26(34-27-11-7-9-21-8-5-6-10-24(21)27)28(31)29-22-13-15-23(16-14-22)35(32,33)30-25-17-12-19(2)18-20(25)3/h5-18,26,30H,4H2,1-3H3,(H,29,31)/t26-/m1/s1.
What are the key properties of (2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide?
(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide has a molecular weight of 488.61 g/mol, XLogP of 6.05, 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-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 92679459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).