N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide

C41H42F8N2O13S4 — CID 157452732

IUPACN-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)s2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)s2)CCOCC1
InChIInChI=1S/C23H25F4NO7S2.C18H17F4NO6S2/c24-20(25)23(26,27)34-16-6-4-15(5-7-16)17-8-9-19(36-17)37(30,31)22(10-13-32-14-11-22)21(29)28-35-18-3-1-2-12-33-18;19-15(20)18(21,22)29-12-3-1-11(2-4-12)13-5-6-14(30-13)31(26,27)17(16(24)23-25)7-9-28-10-8-17/h4-9,18,20H,1-3,10-14H2,(H,28,29);1-6,15,25H,7-10H2,(H,23,24)
InChIKeyBSZHVTQFZZECOP-UHFFFAOYSA-N
MW1051.04 g/mol
LogP8.03
Rot. Bonds16

About N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide (PubChem CID 157452732) has the molecular formula C41H42F8N2O13S4 and a molecular weight of 1051.04 g/mol. Its IUPAC name is N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide
PubChem CID157452732
Molecular FormulaC41H42F8N2O13S4
Molecular Weight1051.04 g/mol
Exact Mass1050.14
IUPAC NameN-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)s2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)s2)CCOCC1
InChIInChI=1S/C23H25F4NO7S2.C18H17F4NO6S2/c24-20(25)23(26,27)34-16-6-4-15(5-7-16)17-8-9-19(36-17)37(30,31)22(10-13-32-14-11-22)21(29)28-35-18-3-1-2-12-33-18;19-15(20)18(21,22)29-12-3-1-11(2-4-12)13-5-6-14(30-13)31(26,27)17(16(24)23-25)7-9-28-10-8-17/h4-9,18,20H,1-3,10-14H2,(H,28,29);1-6,15,25H,7-10H2,(H,23,24)
InChIKeyBSZHVTQFZZECOP-UHFFFAOYSA-N
XLogP8.03
TPSA202.09 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.04
LogP ≤ 58.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide with MolForge

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Related Compounds

N-(oxan-2-yloxy)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonyloxane-4-carboxamide;4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonyloxane-4-carboxylic acid
CID 160746555
N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 157129570
4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfonyl-N-(oxan-2-yloxy)oxane-4-carboxamide
CID 161227337
N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 158229691
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-(oxan-2-yloxy)oxane-4-carboxamide
CID 11496929
N-(oxan-2-yloxy)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 58623161
4-methylsulfonyl-N-(oxan-2-yloxy)-1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]sulfonylpiperazine-2-carboxamide
CID 18387790
N-hydroxy-4-[5-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 87956469
(2R)-1-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide
CID 54522637
N-hydroxy-4-[4-[4-[4-(trifluoromethoxy)phenyl]phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162312650
1-[3,6-diamino-5-(pyrrolidine-1-carbonyl)pyrazine-2-carbonyl]-N-(oxan-2-yloxy)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 89467461
(2R)-4-butanoyl-1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide
CID 54549013

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide (CID 157452732) is N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)s2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)s2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide?
The InChIKey is BSZHVTQFZZECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4NO7S2.C18H17F4NO6S2/c24-20(25)23(26,27)34-16-6-4-15(5-7-16)17-8-9-19(36-17)37(30,31)22(10-13-32-14-11-22)21(29)28-35-18-3-1-2-12-33-18;19-15(20)18(21,22)29-12-3-1-11(2-4-12)13-5-6-14(30-13)31(26,27)17(16(24)23-25)7-9-28-10-8-17/h4-9,18,20H,1-3,10-14H2,(H,28,29);1-6,15,25H,7-10H2,(H,23,24).
What are the key properties of N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide has a molecular weight of 1051.04 g/mol, XLogP of 8.03, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[5-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophen-2-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 157452732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).