(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide

C17H20N2O5S — CID 10594938

IUPAC(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO)cc1
InChIInChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyJRCGNOYYZQLNTH-CYBMUJFWSA-N
MW364.42 g/mol
LogP1.78
Rot. Bonds7

About (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide

(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 10594938) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID10594938
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO)cc1
InChIInChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyJRCGNOYYZQLNTH-CYBMUJFWSA-N
XLogP1.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.78
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'}

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Related Compounds

(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-6-(dimethylamino)-N-hydroxyhexanamide
CID 10742152
tert-butyl N-[4-[benzyl-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]carbamate
CID 101074327
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 22711666
2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 74080477
N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-(oxocan-4-yl)acetamide
CID 22907074
2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide
CID 142973965

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide (CID 10594938) is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO)cc1.
What is the InChIKey of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is JRCGNOYYZQLNTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide?
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 364.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 10594938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).