N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide

C21H21N3O4S2 — CID 59679254

IUPACN-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)s1
InChIInChI=1S/C21H21N3O4S2/c25-20(23-26)19-14-22-21(29-19)17-10-12-24(13-11-17)30(27,28)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,14,17,26H,10-13H2,(H,23,25)
InChIKeyLTLUYPHZNVNMLF-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.50
Rot. Bonds5

About N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide

N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 59679254) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID59679254
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)s1
InChIInChI=1S/C21H21N3O4S2/c25-20(23-26)19-14-22-21(29-19)17-10-12-24(13-11-17)30(27,28)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,14,17,26H,10-13H2,(H,23,25)
InChIKeyLTLUYPHZNVNMLF-UHFFFAOYSA-N
XLogP3.50
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 59679257
2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 30864238
N-hydroxy-2-[4-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide;hydrochloride
CID 157389142
N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 11178108
7-(2-methylphenyl)-4-(4-phenylphenyl)sulfonyl-1,4-thiazepane
CID 121163765
(2-cyclopropyl-1,3-thiazol-5-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 86891303
2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine
CID 146643179
1-(4-methoxyphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16831850
1-(4-phenylphenyl)sulfonylpyrrolidine-3-thiol
CID 18440981
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877456
5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818682
1-(benzenesulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26203036

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 59679254) is N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)s1.
What is the InChIKey of N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LTLUYPHZNVNMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c25-20(23-26)19-14-22-21(29-19)17-10-12-24(13-11-17)30(27,28)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,14,17,26H,10-13H2,(H,23,25).
What are the key properties of N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59679254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).