2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide

C13H20N2O5S — CID 81422440

IUPAC2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C13H20N2O5S/c1-20-7-3-4-10(14)13(17)15-11-8-9(21(2,18)19)5-6-12(11)16/h5-6,8,10,16H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyAVYAUMYWTCRODI-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.49
Rot. Bonds7

About 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide

2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide (PubChem CID 81422440) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide
PubChem CID81422440
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C13H20N2O5S/c1-20-7-3-4-10(14)13(17)15-11-8-9(21(2,18)19)5-6-12(11)16/h5-6,8,10,16H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyAVYAUMYWTCRODI-UHFFFAOYSA-N
XLogP0.49
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
CID 103950240
4-amino-5-(2-hydroxy-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 81423030
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81434349
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-4-methylsulfanylbutanamide
CID 104908842
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide
CID 81434078
2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide
CID 81086132
(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
CID 107144106
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide (CID 81422440) is 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O.
What is the InChIKey of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide?
The InChIKey is AVYAUMYWTCRODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-20-7-3-4-10(14)13(17)15-11-8-9(21(2,18)19)5-6-12(11)16/h5-6,8,10,16H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide?
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide has a molecular weight of 316.38 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide is sourced from PubChem (CID 81422440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).