(2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide

C18H20N2O6S — CID 11741226

IUPAC(2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide
SMILESCC(=O)N(C)[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H20N2O6S/c1-13(21)20(2)17(18(22)19-23)12-27(24,25)16-10-8-15(9-11-16)26-14-6-4-3-5-7-14/h3-11,17,23H,12H2,1-2H3,(H,19,22)/t17-/m0/s1
InChIKeyMQNIUGNKHHOHOT-KRWDZBQOSA-N
MW392.43 g/mol
LogP1.60
Rot. Bonds7

About (2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide

(2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide (PubChem CID 11741226) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is (2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide
PubChem CID11741226
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name(2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide
SMILESCC(=O)N(C)[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H20N2O6S/c1-13(21)20(2)17(18(22)19-23)12-27(24,25)16-10-8-15(9-11-16)26-14-6-4-3-5-7-14/h3-11,17,23H,12H2,1-2H3,(H,19,22)/t17-/m0/s1
InChIKeyMQNIUGNKHHOHOT-KRWDZBQOSA-N
XLogP1.60
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
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

N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide
CID 12968522
N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide
CID 59071627
N-hydroxy-2-(4-phenoxyphenyl)sulfonylacetamide
CID 11616500
2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride
CID 18406833
N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide
CID 59071623
2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenoxyphenyl)sulfonylamino]acetic acid
CID 25180867
N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18753647
2-[(2-anilinoacetyl)amino]-N-hydroxy-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18368954
2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide
CID 21130554
4-(4-phenoxyphenyl)sulfonylbutane-2-thiol
CID 54239050
2-amino-3-(4-phenoxyphenyl)sulfonylpropane-1-thiol
CID 54495806
N-[1-(dimethylamino)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]hydroxylamine
CID 11133842

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide?
The IUPAC name of (2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide (CID 11741226) is (2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for (2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide?
The canonical SMILES for (2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide is CC(=O)N(C)[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide?
The InChIKey is MQNIUGNKHHOHOT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-13(21)20(2)17(18(22)19-23)12-27(24,25)16-10-8-15(9-11-16)26-14-6-4-3-5-7-14/h3-11,17,23H,12H2,1-2H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide?
(2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide has a molecular weight of 392.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 11741226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).