(2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide

C23H25N3O5S — CID 25484810

IUPAC(2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide
SMILESCOc1ccc(CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O5S/c1-31-19-9-6-16(7-10-19)15-25-23(28)21(12-13-22(24)27)26-32(29,30)20-11-8-17-4-2-3-5-18(17)14-20/h2-11,14,21,26H,12-13,15H2,1H3,(H2,24,27)(H,25,28)/t21-/m1/s1
InChIKeyVSOHAGCOONYNPR-OAQYLSRUSA-N
MW455.54 g/mol
LogP2.08
Rot. Bonds10

About (2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide

(2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide (PubChem CID 25484810) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide.

Molecular Properties

Compound Name(2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide
PubChem CID25484810
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name(2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide
SMILESCOc1ccc(CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O5S/c1-31-19-9-6-16(7-10-19)15-25-23(28)21(12-13-22(24)27)26-32(29,30)20-11-8-17-4-2-3-5-18(17)14-20/h2-11,14,21,26H,12-13,15H2,1H3,(H2,24,27)(H,25,28)/t21-/m1/s1
InChIKeyVSOHAGCOONYNPR-OAQYLSRUSA-N
XLogP2.08
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
CID 2539497
(2S)-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724362
(2S)-5-amino-2-[(3-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 81264713
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874784
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
N-[(4-methoxyphenyl)methyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 166434953
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28538144
(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 25197369
N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 44609101
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R)-2-(ethylsulfonylamino)-3-naphthalen-2-ylpropanoyl]amino]pentanediamide
CID 58594928

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide?
The IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide (CID 25484810) is (2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide.
What is the SMILES notation for (2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide?
The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide is COc1ccc(CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide?
The InChIKey is VSOHAGCOONYNPR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-31-19-9-6-16(7-10-19)15-25-23(28)21(12-13-22(24)27)26-32(29,30)20-11-8-17-4-2-3-5-18(17)14-20/h2-11,14,21,26H,12-13,15H2,1H3,(H2,24,27)(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide?
(2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide has a molecular weight of 455.54 g/mol, XLogP of 2.08, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide is sourced from PubChem (CID 25484810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).