(2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide

C15H23NO4S — CID 11483818

IUPAC(2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide
SMILESCCCCCC[C@@H](C(=O)NO)[S@@](=O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO4S/c1-3-4-5-6-7-14(15(17)16-18)21(19)13-10-8-12(20-2)9-11-13/h8-11,14,18H,3-7H2,1-2H3,(H,16,17)/t14-,21-/m0/s1
InChIKeyFROMXYGXLCSILK-QKKBWIMNSA-N
MW313.42 g/mol
LogP2.65
Rot. Bonds9

About (2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide

(2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide (PubChem CID 11483818) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide
PubChem CID11483818
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name(2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide
SMILESCCCCCC[C@@H](C(=O)NO)[S@@](=O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO4S/c1-3-4-5-6-7-14(15(17)16-18)21(19)13-10-8-12(20-2)9-11-13/h8-11,14,18H,3-7H2,1-2H3,(H,16,17)/t14-,21-/m0/s1
InChIKeyFROMXYGXLCSILK-QKKBWIMNSA-N
XLogP2.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(R)-(4-but-2-ynoxyphenyl)sulfinyl]-N-hydroxyoctanamide
CID 11245081
ethyl 2-(4-methoxyphenyl)sulfinylbutanoate
CID 64662288
propan-2-yl 2-[(R)-(4-methylphenyl)sulfinyl]hexadecanoate
CID 10982981
3-[(4-methoxyphenyl)methyl]hexadecan-2-one
CID 70021103
2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxyhexanediamide
CID 22633945
N,N'-dihydroxy-2-(4-methylsulfinylphenyl)sulfinylpentanediamide
CID 54071585
N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482
(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one
CID 102140123
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
2-benzyl-N-hydroxy-3-(4-methoxyphenyl)sulfinylpropanamide
CID 21224383
1-(4-methoxyphenyl)nonan-1-one
CID 3628625

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide?
The IUPAC name of (2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide (CID 11483818) is (2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide is CCCCCC[C@@H](C(=O)NO)[S@@](=O)c1ccc(OC)cc1.
What is the InChIKey of (2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide?
The InChIKey is FROMXYGXLCSILK-QKKBWIMNSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-4-5-6-7-14(15(17)16-18)21(19)13-10-8-12(20-2)9-11-13/h8-11,14,18H,3-7H2,1-2H3,(H,16,17)/t14-,21-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide?
(2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide has a molecular weight of 313.42 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[(R)-(4-methoxyphenyl)sulfinyl]octanamide is sourced from PubChem (CID 11483818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).