N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide

C18H18FNO4S — CID 26003545

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO4S/c19-14-7-5-13(6-8-14)11-24-17-4-2-1-3-16(17)18(21)20-15-9-10-25(22,23)12-15/h1-8,15H,9-12H2,(H,20,21)/t15-/m1/s1
InChIKeySQLCVNSBLXTTCA-OAHLLOKOSA-N
MW363.41 g/mol
LogP2.32
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 26003545) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID26003545
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO4S/c19-14-7-5-13(6-8-14)11-24-17-4-2-1-3-16(17)18(21)20-15-9-10-25(22,23)12-15/h1-8,15H,9-12H2,(H,20,21)/t15-/m1/s1
InChIKeySQLCVNSBLXTTCA-OAHLLOKOSA-N
XLogP2.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 51925377
2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450691
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2646855
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 16625912
2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide
CID 119388320
2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 27710336
2-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 43214296
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
N'-(1,1-dioxothiolan-3-yl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526868
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097820
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 6599751
2-[(2-bromobenzoyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 95574617

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide (CID 26003545) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is SQLCVNSBLXTTCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-14-7-5-13(6-8-14)11-24-17-4-2-1-3-16(17)18(21)20-15-9-10-25(22,23)12-15/h1-8,15H,9-12H2,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 363.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 26003545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).