(2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide

C15H16N2O4S2 — CID 154070964

IUPAC(2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide
SMILESN[C@@](CS)(C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S2/c16-15(10-22,14(18)17-19)23(20,21)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,19,22H,10,16H2,(H,17,18)/t15-/m1/s1
InChIKeyRIPKNDQXUOEHNZ-OAHLLOKOSA-N
MW352.44 g/mol
LogP1.22
Rot. Bonds5

About (2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide

(2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide (PubChem CID 154070964) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide
PubChem CID154070964
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name(2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide
SMILESN[C@@](CS)(C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S2/c16-15(10-22,14(18)17-19)23(20,21)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,19,22H,10,16H2,(H,17,18)/t15-/m1/s1
InChIKeyRIPKNDQXUOEHNZ-OAHLLOKOSA-N
XLogP1.22
TPSA109.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.22
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-(N-isopropoxy-4''-(methylthio)biphenyl-4-ylsulfonamido)acetamide
CID 44222826
N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide
CID 56950466
N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide
CID 56951000
(4R)-N-hydroxy-1-oxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 57384084
(4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 57384091
(4R)-N-hydroxy-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 57403621
N-hydroxy-2-(4-phenylphenyl)sulfonylacetamide
CID 168276813
2-(4-Phenylphenyl)sulfonylacetamide
CID 515120
2-[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenylsulfanylpropanamide
CID 23505543
1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide
CID 57162835
(2S)-2-amino-3-sulfanyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 154353701
bicyclo[2.2.1]hepta-1,3,5-triene;N-hydroxy-3-(4-phenylphenyl)sulfonylpropanamide
CID 21224275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide?
The IUPAC name of (2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide (CID 154070964) is (2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide?
The canonical SMILES for (2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide is N[C@@](CS)(C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide?
The InChIKey is RIPKNDQXUOEHNZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c16-15(10-22,14(18)17-19)23(20,21)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,19,22H,10,16H2,(H,17,18)/t15-/m1/s1.
What are the key properties of (2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide?
(2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide has a molecular weight of 352.44 g/mol, XLogP of 1.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hydroxy-2-(4-phenylphenyl)sulfonyl-3-sulfanylpropanamide is sourced from PubChem (CID 154070964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).