(2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide

C22H25N3O5S2 — CID 170380890

IUPAC(2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide
SMILESCN(C)c1ccc(CN([C@H](Cc2cccs2)C(=O)NO)S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H25N3O5S2/c1-24(2)17-7-5-16(6-8-17)15-25(32(29,30)20-11-9-18(26)10-12-20)21(22(27)23-28)14-19-4-3-13-31-19/h3-13,21,26,28H,14-15H2,1-2H3,(H,23,27)/t21-/m1/s1
InChIKeyZCFWDGZIDQNKFD-OAQYLSRUSA-N
MW475.59 g/mol
LogP2.83
Rot. Bonds9

About (2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide

(2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide (PubChem CID 170380890) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is (2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide
PubChem CID170380890
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC Name(2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide
SMILESCN(C)c1ccc(CN([C@H](Cc2cccs2)C(=O)NO)S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H25N3O5S2/c1-24(2)17-7-5-16(6-8-17)15-25(32(29,30)20-11-9-18(26)10-12-20)21(22(27)23-28)14-19-4-3-13-31-19/h3-13,21,26,28H,14-15H2,1-2H3,(H,23,27)/t21-/m1/s1
InChIKeyZCFWDGZIDQNKFD-OAQYLSRUSA-N
XLogP2.83
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
CID 170380866
N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide
CID 92695181
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide
CID 170380856
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
[4-[[1-(hydroxyamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]phenyl]methyl-(thiophen-2-ylmethyl)carbamic acid
CID 87544453
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 91799153
[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylcarbamic acid
CID 141011447
5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide
CID 47027380
(2S)-N-hydroxy-3-methyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 100984443
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-6-(dimethylamino)-N-hydroxyhexanamide
CID 10742152
N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
CID 167806334
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide (CID 170380890) is (2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide is CN(C)c1ccc(CN([C@H](Cc2cccs2)C(=O)NO)S(=O)(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of (2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide?
The InChIKey is ZCFWDGZIDQNKFD-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-24(2)17-7-5-16(6-8-17)15-25(32(29,30)20-11-9-18(26)10-12-20)21(22(27)23-28)14-19-4-3-13-31-19/h3-13,21,26,28H,14-15H2,1-2H3,(H,23,27)/t21-/m1/s1.
What are the key properties of (2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide?
(2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide has a molecular weight of 475.59 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 170380890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).