(2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide

C17H20N2O5S — CID 71451147

IUPAC(2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide
SMILESCS(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H20N2O5S/c1-25(22,23)19-16(17(20)18-21)11-13-7-9-15(10-8-13)24-12-14-5-3-2-4-6-14/h2-10,16,19,21H,11-12H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyDYKLZYLZOHTNDU-INIZCTEOSA-N
MW364.42 g/mol
LogP1.23
Rot. Bonds8

About (2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide

(2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide (PubChem CID 71451147) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide
PubChem CID71451147
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name(2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide
SMILESCS(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H20N2O5S/c1-25(22,23)19-16(17(20)18-21)11-13-7-9-15(10-8-13)24-12-14-5-3-2-4-6-14/h2-10,16,19,21H,11-12H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyDYKLZYLZOHTNDU-INIZCTEOSA-N
XLogP1.23
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of (2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide (CID 71451147) is (2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide is CS(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is DYKLZYLZOHTNDU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-25(22,23)19-16(17(20)18-21)11-13-7-9-15(10-8-13)24-12-14-5-3-2-4-6-14/h2-10,16,19,21H,11-12H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide?
(2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 364.42 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 71451147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).