(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide

C27H26N2O4S — CID 28636606

IUPAC(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C27H26N2O4S/c1-3-26(33-23-15-12-20-9-5-6-10-21(20)18-23)27(30)28-22-13-16-24(17-14-22)34(31,32)29-25-11-7-4-8-19(25)2/h4-18,26,29H,3H2,1-2H3,(H,28,30)/t26-/m0/s1
InChIKeyVKKOTDJBSAEAHL-SANMLTNESA-N
MW474.58 g/mol
LogP5.75
Rot. Bonds8

About (2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide

(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 28636606) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is (2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
PubChem CID28636606
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C27H26N2O4S/c1-3-26(33-23-15-12-20-9-5-6-10-21(20)18-23)27(30)28-22-13-16-24(17-14-22)34(31,32)29-25-11-7-4-8-19(25)2/h4-18,26,29H,3H2,1-2H3,(H,28,30)/t26-/m0/s1
InChIKeyVKKOTDJBSAEAHL-SANMLTNESA-N
XLogP5.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 17106989
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 46770765
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 94864467
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43876669
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43907240
(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide
CID 92671713
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]butanamide
CID 99949850
(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
CID 92679459
(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 30384301

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide (CID 28636606) is (2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1.
What is the InChIKey of (2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is VKKOTDJBSAEAHL-SANMLTNESA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-3-26(33-23-15-12-20-9-5-6-10-21(20)18-23)27(30)28-22-13-16-24(17-14-22)34(31,32)29-25-11-7-4-8-19(25)2/h4-18,26,29H,3H2,1-2H3,(H,28,30)/t26-/m0/s1.
What are the key properties of (2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 474.58 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 28636606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).