2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide

C18H17FN2O5S — CID 135149146

IUPAC2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C18H17FN2O5S/c19-13-3-1-2-12(10-13)11-17(22)20-14-4-6-15(7-5-14)27(24,25)21-16-8-9-26-18(16)23/h1-7,10,16,21H,8-9,11H2,(H,20,22)/t16-/m0/s1
InChIKeyBOQUAEFXZIWKTA-INIZCTEOSA-N
MW392.41 g/mol
LogP1.60
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide

2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 135149146) has the molecular formula C18H17FN2O5S and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID135149146
Molecular FormulaC18H17FN2O5S
Molecular Weight392.41 g/mol
Exact Mass392.08
IUPAC Name2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C18H17FN2O5S/c19-13-3-1-2-12(10-13)11-17(22)20-14-4-6-15(7-5-14)27(24,25)21-16-8-9-26-18(16)23/h1-7,10,16,21H,8-9,11H2,(H,20,22)/t16-/m0/s1
InChIKeyBOQUAEFXZIWKTA-INIZCTEOSA-N
XLogP1.60
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318477
N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]heptanamide
CID 78318340
5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 126756539
4-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 126756514
4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318533
4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 29288988
N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 155952127
3-fluoro-N-[4-[[(2S,3S)-2-hydroxyoxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 141363354
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264
2-(3-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327223
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide (CID 135149146) is 2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide is O=C(Cc1cccc(F)c1)Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is BOQUAEFXZIWKTA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17FN2O5S/c19-13-3-1-2-12(10-13)11-17(22)20-14-4-6-15(7-5-14)27(24,25)21-16-8-9-26-18(16)23/h1-7,10,16,21H,8-9,11H2,(H,20,22)/t16-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide?
2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 392.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 135149146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).