N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide

C18H18FN3O4S — CID 16829592

IUPACN-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CC(=O)N(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C18H18FN3O4S/c1-12(23)20-14-5-7-17(8-6-14)27(25,26)21-15-10-18(24)22(11-15)16-4-2-3-13(19)9-16/h2-9,15,21H,10-11H2,1H3,(H,20,23)
InChIKeyRJFILTOJEJNQRT-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.87
Rot. Bonds5

About N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 16829592) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID16829592
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CC(=O)N(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C18H18FN3O4S/c1-12(23)20-14-5-7-17(8-6-14)27(25,26)21-15-10-18(24)22(11-15)16-4-2-3-13(19)9-16/h2-9,15,21H,10-11H2,1H3,(H,20,23)
InChIKeyRJFILTOJEJNQRT-UHFFFAOYSA-N
XLogP1.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
CID 720658
Benzenesulfonamide, 4-(2-oxo-1-pyrrolidinyl)-
CID 215697
1-[3-[2-[2-cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-1-oxo-propyl]-4-[4-[1-oxoethylamino]phenylsulfonyl]piperazine
CID 11705859
5-oxo-1-phenyl-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17080567
5-[(2,4-difluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814935
5-[(3-fluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814937
3-(benzenesulfonamido)-N-phenylpropanamide
CID 2978041
1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 6497355
N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614339
2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide
CID 2973406
1-Phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]-2,5-pyrrolidinedione
CID 3571362
N-benzyl-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585685

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide (CID 16829592) is N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CC(=O)N(c3cccc(F)c3)C2)cc1.
What is the InChIKey of N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is RJFILTOJEJNQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c1-12(23)20-14-5-7-17(8-6-14)27(25,26)21-15-10-18(24)22(11-15)16-4-2-3-13(19)9-16/h2-9,15,21H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 391.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16829592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).