(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide

C22H24N2O4S — CID 100641347

IUPAC(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide
SMILESCC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H24N2O4S/c1-4-21(28-18-14-12-17(13-15-18)24(2)29(3,26)27)22(25)23-20-11-7-9-16-8-5-6-10-19(16)20/h5-15,21H,4H2,1-3H3,(H,23,25)/t21-/m1/s1
InChIKeyWJEVDCZIMVQFCS-OAQYLSRUSA-N
MW412.51 g/mol
LogP4.03
Rot. Bonds7

About (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide

(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide (PubChem CID 100641347) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide
PubChem CID100641347
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide
SMILESCC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H24N2O4S/c1-4-21(28-18-14-12-17(13-15-18)24(2)29(3,26)27)22(25)23-20-11-7-9-16-8-5-6-10-19(16)20/h5-15,21H,4H2,1-3H3,(H,23,25)/t21-/m1/s1
InChIKeyWJEVDCZIMVQFCS-OAQYLSRUSA-N
XLogP4.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133162052
N-(3-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133184207
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)butanamide
CID 100612839
2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
CID 132654391
N-(2-methoxyethyl)-2-[[(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzamide
CID 100748404
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133187430
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-propan-2-yloxyphenyl)butanamide
CID 133161996
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
N-(4-ethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160487
2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
4-[[(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzamide
CID 100769036

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide?
The IUPAC name of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide (CID 100641347) is (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide?
The canonical SMILES for (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide is CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide?
The InChIKey is WJEVDCZIMVQFCS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-4-21(28-18-14-12-17(13-15-18)24(2)29(3,26)27)22(25)23-20-11-7-9-16-8-5-6-10-19(16)20/h5-15,21H,4H2,1-3H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide?
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide has a molecular weight of 412.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 100641347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).