N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

C21H22N4O5S2 — CID 10552476

IUPACN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2C(=O)NO)cc1
InChIInChI=1S/C21H22N4O5S2/c1-30-16-7-9-17(10-8-16)32(28,29)25-12-11-24(13-19(25)20(26)23-27)21-22-18(14-31-21)15-5-3-2-4-6-15/h2-10,14,19,27H,11-13H2,1H3,(H,23,26)
InChIKeyCOEWKMGFIMMVCE-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.20
Rot. Bonds6

About N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide (PubChem CID 10552476) has the molecular formula C21H22N4O5S2 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
PubChem CID10552476
Molecular FormulaC21H22N4O5S2
Molecular Weight474.56 g/mol
Exact Mass474.10
IUPAC NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2C(=O)NO)cc1
InChIInChI=1S/C21H22N4O5S2/c1-30-16-7-9-17(10-8-16)32(28,29)25-12-11-24(13-19(25)20(26)23-27)21-22-18(14-31-21)15-5-3-2-4-6-15/h2-10,14,19,27H,11-13H2,1H3,(H,23,26)
InChIKeyCOEWKMGFIMMVCE-UHFFFAOYSA-N
XLogP2.20
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

1-N-benzyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-methylpiperazine-1,3-dicarboxamide
CID 10389610
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-pyridin-4-yl-1,3-thiazole
CID 25191882
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 10550304
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 10716486
1-(4-methoxyphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16831850
4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
CID 3223640
(2R)-1-[4-(aminomethyl)phenyl]sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 166554689
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4229
(3R)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10761128
4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
CID 160977428
4-(2,6-dimethoxypyrimidin-4-yl)-1-(4-phenylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide
CID 54581215

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide (CID 10552476) is N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
The InChIKey is COEWKMGFIMMVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S2/c1-30-16-7-9-17(10-8-16)32(28,29)25-12-11-24(13-19(25)20(26)23-27)21-22-18(14-31-21)15-5-3-2-4-6-15/h2-10,14,19,27H,11-13H2,1H3,(H,23,26).
What are the key properties of N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide?
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 10552476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).