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

C18H18FNO4S — CID 51925377

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO4S/c19-15-6-4-13(5-7-15)11-24-17-3-1-2-14(10-17)18(21)20-16-8-9-25(22,23)12-16/h1-7,10,16H,8-9,11-12H2,(H,20,21)/t16-/m0/s1
InChIKeyKDTDLLDGFOAYAT-INIZCTEOSA-N
MW363.41 g/mol
LogP2.32
Rot. Bonds5

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

N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 51925377) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide
PubChem CID51925377
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO4S/c19-15-6-4-13(5-7-15)11-24-17-3-1-2-14(10-17)18(21)20-16-8-9-25(22,23)12-16/h1-7,10,16H,8-9,11-12H2,(H,20,21)/t16-/m0/s1
InChIKeyKDTDLLDGFOAYAT-INIZCTEOSA-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-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 26003545
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 46553769
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 32964503
3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 39352092
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 124989566
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 7834521
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide
CID 51417817
3-N-(1,1-dioxothiolan-3-yl)-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054366

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide (CID 51925377) is N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is KDTDLLDGFOAYAT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-15-6-4-13(5-7-15)11-24-17-3-1-2-14(10-17)18(21)20-16-8-9-25(22,23)12-16/h1-7,10,16H,8-9,11-12H2,(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(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-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 51925377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).