(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide

C11H16N2O6S — CID 50907085

IUPAC(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C(=O)NO)[C@H](C)O)cc1
InChIInChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10+/m0/s1
InChIKeyYNIHTMMJQXUNPE-OIBJUYFYSA-N
MW304.32 g/mol
LogP-0.77
Rot. Bonds6

About (2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide

(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide (PubChem CID 50907085) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is (2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
PubChem CID50907085
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C(=O)NO)[C@H](C)O)cc1
InChIInChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10+/m0/s1
InChIKeyYNIHTMMJQXUNPE-OIBJUYFYSA-N
XLogP-0.77
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-0.77
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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Related Compounds

methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 2104038
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
(2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide
CID 20646766
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
N-[2-(ethylamino)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119508078
2-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358741
(4-methoxyphenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 16578703
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide?
The IUPAC name of (2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide (CID 50907085) is (2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide.
What is the SMILES notation for (2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide?
The canonical SMILES for (2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide is COc1ccc(S(=O)(=O)N[C@@H](C(=O)NO)[C@H](C)O)cc1.
What is the InChIKey of (2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide?
The InChIKey is YNIHTMMJQXUNPE-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10+/m0/s1.
What are the key properties of (2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide?
(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide has a molecular weight of 304.32 g/mol, XLogP of -0.77, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 50907085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).