4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide

C22H20FNO4S2 — CID 142845891

IUPAC4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)c2ccc(-c3cscc3-c3ccc(F)cc3)cc2)CCOCC1
InChIInChI=1S/C22H20FNO4S2/c23-17-5-1-15(2-6-17)19-13-29-14-20(19)16-3-7-18(8-4-16)30(27)22(21(25)24-26)9-11-28-12-10-22/h1-8,13-14,26H,9-12H2,(H,24,25)
InChIKeyQEXSJUAERFAPFG-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.38
Rot. Bonds5

About 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide

4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide (PubChem CID 142845891) has the molecular formula C22H20FNO4S2 and a molecular weight of 445.54 g/mol. Its IUPAC name is 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide
PubChem CID142845891
Molecular FormulaC22H20FNO4S2
Molecular Weight445.54 g/mol
Exact Mass445.08
IUPAC Name4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)c2ccc(-c3cscc3-c3ccc(F)cc3)cc2)CCOCC1
InChIInChI=1S/C22H20FNO4S2/c23-17-5-1-15(2-6-17)19-13-29-14-20(19)16-3-7-18(8-4-16)30(27)22(21(25)24-26)9-11-28-12-10-22/h1-8,13-14,26H,9-12H2,(H,24,25)
InChIKeyQEXSJUAERFAPFG-UHFFFAOYSA-N
XLogP4.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide
CID 142895489
propan-2-yl 4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]phenyl]sulfinyloxane-4-carboxylate
CID 142845770
N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 155953933
4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide
CID 142845950
N-[(4-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110082812
N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide
CID 87317670
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide
CID 27450003
N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 154789112
4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276126
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27453065

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide (CID 142845891) is 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide is O=C(NO)C1(S(=O)c2ccc(-c3cscc3-c3ccc(F)cc3)cc2)CCOCC1.
What is the InChIKey of 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is QEXSJUAERFAPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4S2/c23-17-5-1-15(2-6-17)19-13-29-14-20(19)16-3-7-18(8-4-16)30(27)22(21(25)24-26)9-11-28-12-10-22/h1-8,13-14,26H,9-12H2,(H,24,25).
What are the key properties of 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide?
4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-fluorophenyl)thiophen-3-yl]phenyl]sulfinyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 142845891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).