(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide

C21H25N3O5S — CID 170380856

IUPAC(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)NO)N(Cc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C21H25N3O5S/c1-14(2)11-20(21(26)23-27)24(30(28,29)18-6-4-17(25)5-7-18)13-15-3-8-19-16(12-15)9-10-22-19/h3-10,12,14,20,22,25,27H,11,13H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyLLOTVKGNFYTSFZ-HXUWFJFHSA-N
MW431.51 g/mol
LogP2.98
Rot. Bonds8

About (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide

(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide (PubChem CID 170380856) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide
PubChem CID170380856
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)NO)N(Cc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C21H25N3O5S/c1-14(2)11-20(21(26)23-27)24(30(28,29)18-6-4-17(25)5-7-18)13-15-3-8-19-16(12-15)9-10-22-19/h3-10,12,14,20,22,25,27H,11,13H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyLLOTVKGNFYTSFZ-HXUWFJFHSA-N
XLogP2.98
TPSA122.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.98
H-Bond Donors ≤ 54
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

2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide
CID 170383703
(2S)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
CID 170380866
4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide
CID 170383838
(2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
CID 170383532
(2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide
CID 170380890
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide
CID 22907097
2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
CID 22907176
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 91799153
4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 125116690
(2S)-N-hydroxy-3-methyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 100984443
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(methylaminomethyl)phenyl]methyl]amino]-4-methylpentanoic acid
CID 154081171
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide (CID 170380856) is (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide is CC(C)C[C@H](C(=O)NO)N(Cc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide?
The InChIKey is LLOTVKGNFYTSFZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-14(2)11-20(21(26)23-27)24(30(28,29)18-6-4-17(25)5-7-18)13-15-3-8-19-16(12-15)9-10-22-19/h3-10,12,14,20,22,25,27H,11,13H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide?
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide has a molecular weight of 431.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide is sourced from PubChem (CID 170380856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).