5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide

C21H30N4O6S2 — CID 171783638

IUPAC5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide
SMILESCOc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NCCCCC(=O)NO
InChIInChI=1S/C21H30N4O6S2/c1-13-18(32-20(23-13)24-19(27)21(2,3)4)14-9-10-15(31-5)16(12-14)33(29,30)22-11-7-6-8-17(26)25-28/h9-10,12,22,28H,6-8,11H2,1-5H3,(H,25,26)(H,23,24,27)
InChIKeyMXEIKRUTMZNQRK-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.07
Rot. Bonds10

About 5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide

5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide (PubChem CID 171783638) has the molecular formula C21H30N4O6S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide
PubChem CID171783638
Molecular FormulaC21H30N4O6S2
Molecular Weight498.63 g/mol
Exact Mass498.16
IUPAC Name5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide
SMILESCOc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NCCCCC(=O)NO
InChIInChI=1S/C21H30N4O6S2/c1-13-18(32-20(23-13)24-19(27)21(2,3)4)14-9-10-15(31-5)16(12-14)33(29,30)22-11-7-6-8-17(26)25-28/h9-10,12,22,28H,6-8,11H2,1-5H3,(H,25,26)(H,23,24,27)
InChIKeyMXEIKRUTMZNQRK-UHFFFAOYSA-N
XLogP3.07
TPSA146.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 171783641
N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 155055805
N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide
CID 175592107
N-[5-[3-[[4-hydroxy-3-(2-methylpropyl)phenyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 154677931
N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylacetamide
CID 89493780
tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide
CID 175538036
1-tert-butyl-3-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 71548663
5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide
CID 175592124
N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 71550486
N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 71549649
1,1-diethyl-3-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 71548661
2-cyclopentyl-N-[5-[3-[(3-hydroxy-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 121452726

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide?
The IUPAC name of 5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide (CID 171783638) is 5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide.
What is the SMILES notation for 5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide?
The canonical SMILES for 5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide is COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NCCCCC(=O)NO.
What is the InChIKey of 5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide?
The InChIKey is MXEIKRUTMZNQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O6S2/c1-13-18(32-20(23-13)24-19(27)21(2,3)4)14-9-10-15(31-5)16(12-14)33(29,30)22-11-7-6-8-17(26)25-28/h9-10,12,22,28H,6-8,11H2,1-5H3,(H,25,26)(H,23,24,27).
What are the key properties of 5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide?
5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide has a molecular weight of 498.63 g/mol, XLogP of 3.07, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide is sourced from PubChem (CID 171783638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).