N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide

C14H19FN2O3S — CID 109026637

IUPACN-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide
SMILESCN(C(=O)CCNc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19FN2O3S/c1-17(13-7-9-21(19,20)10-13)14(18)6-8-16-12-4-2-11(15)3-5-12/h2-5,13,16H,6-10H2,1H3
InChIKeyUTZIJCZZLWGNAD-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.27
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide

N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide (PubChem CID 109026637) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide
PubChem CID109026637
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide
SMILESCN(C(=O)CCNc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19FN2O3S/c1-17(13-7-9-21(19,20)10-13)14(18)6-8-16-12-4-2-11(15)3-5-12/h2-5,13,16H,6-10H2,1H3
InChIKeyUTZIJCZZLWGNAD-UHFFFAOYSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 109026665
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109026675
N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenyl)ethylamino]-N-methylpropanamide
CID 109025084
N-(1,1-dioxothiolan-3-yl)-3-(2-ethoxyanilino)-N-methylpropanamide
CID 109026654
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methylamino]-N-methylacetamide
CID 108997717
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2,4,6-trimethylanilino)propanamide
CID 109026631
2-[4-(dimethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 109001942
methyl 2-[[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]amino]benzoate
CID 109026668
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N'-(1,1-dioxothiolan-3-yl)-N-(3-fluorophenyl)-N'-methylpropanediamide
CID 108949267
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-propan-2-yloxyanilino)acetamide
CID 109001931
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 25409026

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide (CID 109026637) is N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide is CN(C(=O)CCNc1ccc(F)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide?
The InChIKey is UTZIJCZZLWGNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-17(13-7-9-21(19,20)10-13)14(18)6-8-16-12-4-2-11(15)3-5-12/h2-5,13,16H,6-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide?
N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide has a molecular weight of 314.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide is sourced from PubChem (CID 109026637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).