2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide

C16H21N3O5S2 — CID 88903428

IUPAC2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)NC(C)c2ncc(C(=O)NO)s2)cc1
InChIInChI=1S/C16H21N3O5S2/c1-3-4-9-24-12-5-7-13(8-6-12)26(22,23)19-11(2)16-17-10-14(25-16)15(20)18-21/h5-8,10-11,19,21H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyCMJOVLUQMYPABT-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.48
Rot. Bonds9

About 2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide

2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 88903428) has the molecular formula C16H21N3O5S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID88903428
Molecular FormulaC16H21N3O5S2
Molecular Weight399.49 g/mol
Exact Mass399.09
IUPAC Name2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)NC(C)c2ncc(C(=O)NO)s2)cc1
InChIInChI=1S/C16H21N3O5S2/c1-3-4-9-24-12-5-7-13(8-6-12)26(22,23)19-11(2)16-17-10-14(25-16)15(20)18-21/h5-8,10-11,19,21H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyCMJOVLUQMYPABT-UHFFFAOYSA-N
XLogP2.48
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanethioamide
CID 54406297
4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 22711687
(2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide
CID 87400365
3-amino-2-[(4-butoxyphenyl)sulfonylamino]propanoic acid
CID 54072667
4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115681422
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46406758
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
ethyl 2-[(4-butoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3688454
N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-butoxybenzamide
CID 17160335
methyl 2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]butanoate
CID 71858268
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide (CID 88903428) is 2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide is CCCCOc1ccc(S(=O)(=O)NC(C)c2ncc(C(=O)NO)s2)cc1.
What is the InChIKey of 2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is CMJOVLUQMYPABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S2/c1-3-4-9-24-12-5-7-13(8-6-12)26(22,23)19-11(2)16-17-10-14(25-16)15(20)18-21/h5-8,10-11,19,21H,3-4,9H2,1-2H3,(H,18,20).
What are the key properties of 2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide?
2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 2.48, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-butoxyphenyl)sulfonylamino]ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88903428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).