N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

C18H20FN3O4S — CID 53161871

IUPACN-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCN(C(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O4S/c1-20(15-8-6-14(19)7-9-15)17(23)13-21-10-4-5-16(18(21)24)27(25,26)22-11-2-3-12-22/h4-10H,2-3,11-13H2,1H3
InChIKeyVYNXIAUBVKSQKG-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.43
Rot. Bonds5

About N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (PubChem CID 53161871) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
PubChem CID53161871
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCN(C(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O4S/c1-20(15-8-6-14(19)7-9-15)17(23)13-21-10-4-5-16(18(21)24)27(25,26)22-11-2-3-12-22/h4-10H,2-3,11-13H2,1H3
InChIKeyVYNXIAUBVKSQKG-UHFFFAOYSA-N
XLogP1.43
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (CID 53161871) is N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is CN(C(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The InChIKey is VYNXIAUBVKSQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-20(15-8-6-14(19)7-9-15)17(23)13-21-10-4-5-16(18(21)24)27(25,26)22-11-2-3-12-22/h4-10H,2-3,11-13H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is sourced from PubChem (CID 53161871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).