(2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide

C18H20N2O5S — CID 87844242

IUPAC(2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide
SMILESC[C@@H](C(=O)N(O)c1ccccc1)S(=O)[C@@H](C)C(=O)N(O)c1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-13(17(21)19(23)15-9-5-3-6-10-15)26(25)14(2)18(22)20(24)16-11-7-4-8-12-16/h3-14,23-24H,1-2H3/t13-,14-/m0/s1
InChIKeyOERIGMONIZPKDJ-KBPBESRZSA-N
MW376.43 g/mol
LogP2.36
Rot. Bonds6

About (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide

(2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide (PubChem CID 87844242) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide
PubChem CID87844242
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name(2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide
SMILESC[C@@H](C(=O)N(O)c1ccccc1)S(=O)[C@@H](C)C(=O)N(O)c1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-13(17(21)19(23)15-9-5-3-6-10-15)26(25)14(2)18(22)20(24)16-11-7-4-8-12-16/h3-14,23-24H,1-2H3/t13-,14-/m0/s1
InChIKeyOERIGMONIZPKDJ-KBPBESRZSA-N
XLogP2.36
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
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'}

Analyze (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-hydroxy-N-phenylpropanamide
CID 57100198
N-hydroxy-N,2,2-triphenylacetamide
CID 23854752
N-hydroxy-N-phenylbenzamide;tungsten
CID 159148219
N-hydroxy-N-phenylprop-2-enamide
CID 11367183
4-(dimethylamino)-N-hydroxy-N-phenylbenzamide
CID 71402496
3,5-diacetyl-N-hydroxy-N-phenylbenzamide
CID 87586597
(2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal
CID 157195375
4-bromo-N-hydroxy-N-phenylbenzamide
CID 25115715
N-hydroxy-N-phenyl-1H-pyrrole-2-carboxamide
CID 22360432
chlorosulfinyl(phenyl)carbamic acid
CID 88751508
(2R)-2-methyl-N,N-diphenylpent-4-enamide
CID 24809395
N-hydroxy-N-phenylcycloheptanecarboxamide
CID 131974748

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide?
The IUPAC name of (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide (CID 87844242) is (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide is C[C@@H](C(=O)N(O)c1ccccc1)S(=O)[C@@H](C)C(=O)N(O)c1ccccc1.
What is the InChIKey of (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide?
The InChIKey is OERIGMONIZPKDJ-KBPBESRZSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13(17(21)19(23)15-9-5-3-6-10-15)26(25)14(2)18(22)20(24)16-11-7-4-8-12-16/h3-14,23-24H,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide?
(2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide has a molecular weight of 376.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide is sourced from PubChem (CID 87844242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).