N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide

C18H20FN3O3S — CID 113028710

IUPACN-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESCN(c1ccc(NC(=O)Cc2ccc(F)cc2)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H20FN3O3S/c1-22(16-8-9-26(24,25)12-16)15-6-7-17(20-11-15)21-18(23)10-13-2-4-14(19)5-3-13/h2-7,11,16H,8-10,12H2,1H3,(H,20,21,23)
InChIKeyBYOPLCSGQTUOIJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.03
Rot. Bonds5

About N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide

N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113028710) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
PubChem CID113028710
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESCN(c1ccc(NC(=O)Cc2ccc(F)cc2)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H20FN3O3S/c1-22(16-8-9-26(24,25)12-16)15-6-7-17(20-11-15)21-18(23)10-13-2-4-14(19)5-3-13/h2-7,11,16H,8-10,12H2,1H3,(H,20,21,23)
InChIKeyBYOPLCSGQTUOIJ-UHFFFAOYSA-N
XLogP2.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]acetamide
CID 112983873
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide
CID 112983871
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methylamino]-N-methylacetamide
CID 108997717
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193310
N-(5-bromo-2-pyridinyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 47131087
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
CID 113013662
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-fluorobenzamide
CID 113013680
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013706
N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenyl)ethylamino]-N-methylpropanamide
CID 109025084
1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea
CID 113029223
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 109193306
2-(4-acetamidophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17480753

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide (CID 113028710) is N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide is CN(c1ccc(NC(=O)Cc2ccc(F)cc2)nc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is BYOPLCSGQTUOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-22(16-8-9-26(24,25)12-16)15-6-7-17(20-11-15)21-18(23)10-13-2-4-14(19)5-3-13/h2-7,11,16H,8-10,12H2,1H3,(H,20,21,23).
What are the key properties of N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113028710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).