(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide

C23H27N3O6S — CID 57059644

IUPAC(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide
SMILESCC#CCOc1ccc(S(=O)(=O)N(C)[C@@H](C(=O)NO)c2ccc(ON3CCCC3)cc2)cc1
InChIInChI=1S/C23H27N3O6S/c1-3-4-17-31-19-11-13-21(14-12-19)33(29,30)25(2)22(23(27)24-28)18-7-9-20(10-8-18)32-26-15-5-6-16-26/h7-14,22,28H,5-6,15-17H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyLDGAFPSZKJVJTK-JOCHJYFZSA-N
MW473.55 g/mol
LogP2.35
Rot. Bonds9

About (2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide

(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide (PubChem CID 57059644) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is (2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide
PubChem CID57059644
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide
SMILESCC#CCOc1ccc(S(=O)(=O)N(C)[C@@H](C(=O)NO)c2ccc(ON3CCCC3)cc2)cc1
InChIInChI=1S/C23H27N3O6S/c1-3-4-17-31-19-11-13-21(14-12-19)33(29,30)25(2)22(23(27)24-28)18-7-9-20(10-8-18)32-26-15-5-6-16-26/h7-14,22,28H,5-6,15-17H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyLDGAFPSZKJVJTK-JOCHJYFZSA-N
XLogP2.35
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-[4-[2-(methylamino)ethoxy]phenyl]acetamide
CID 22644781
2-[4-(3-aminopropoxy)phenyl]-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxyacetamide
CID 22644841
2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide
CID 10271493
2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxy-3-methylbutanamide
CID 10222386
4-but-2-ynoxy-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 18357026
2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(diethylamino)but-2-ynyl]amino]-N-hydroxy-3-methylbutanamide;hydrochloride
CID 22644798
[(4-but-2-ynoxyphenyl)sulfonyl-methylamino] cyclohexanecarboxylate
CID 86587114
4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 23513886
2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide
CID 10316165
4-but-2-ynoxy-N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
CID 50990949
6-bromo-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-(4-methylpiperazin-1-yl)benzamide
CID 44564406
2-[(4-buta-2,3-dienoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylbutanamide
CID 10132821

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide?
The IUPAC name of (2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide (CID 57059644) is (2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide.
What is the SMILES notation for (2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide?
The canonical SMILES for (2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide is CC#CCOc1ccc(S(=O)(=O)N(C)[C@@H](C(=O)NO)c2ccc(ON3CCCC3)cc2)cc1.
What is the InChIKey of (2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide?
The InChIKey is LDGAFPSZKJVJTK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-3-4-17-31-19-11-13-21(14-12-19)33(29,30)25(2)22(23(27)24-28)18-7-9-20(10-8-18)32-26-15-5-6-16-26/h7-14,22,28H,5-6,15-17H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of (2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide?
(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide has a molecular weight of 473.55 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-2-(4-pyrrolidin-1-yloxyphenyl)acetamide is sourced from PubChem (CID 57059644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).