(2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide

C17H20N2O5S — CID 87639192

IUPAC(2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide
SMILESC[C@@H](O)[C@H](NCS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H20N2O5S/c1-12(20)16(17(21)19-22)18-11-25(23,24)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16,18,20,22H,11H2,1H3,(H,19,21)/t12-,16+/m1/s1
InChIKeySGBFNBOOBXSGQS-WBMJQRKESA-N
MW364.42 g/mol
LogP0.93
Rot. Bonds7

About (2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide

(2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide (PubChem CID 87639192) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is (2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide.

Molecular Properties

Compound Name(2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide
PubChem CID87639192
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name(2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide
SMILESC[C@@H](O)[C@H](NCS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H20N2O5S/c1-12(20)16(17(21)19-22)18-11-25(23,24)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16,18,20,22H,11H2,1H3,(H,19,21)/t12-,16+/m1/s1
InChIKeySGBFNBOOBXSGQS-WBMJQRKESA-N
XLogP0.93
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide?
The IUPAC name of (2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide (CID 87639192) is (2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide.
What is the SMILES notation for (2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide?
The canonical SMILES for (2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide is C[C@@H](O)[C@H](NCS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide?
The InChIKey is SGBFNBOOBXSGQS-WBMJQRKESA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-12(20)16(17(21)19-22)18-11-25(23,24)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16,18,20,22H,11H2,1H3,(H,19,21)/t12-,16+/m1/s1.
What are the key properties of (2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide?
(2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide has a molecular weight of 364.42 g/mol, XLogP of 0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide is sourced from PubChem (CID 87639192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).