N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide

C15H15FN2O4S — CID 113208590

IUPACN-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide
SMILESCN(C(=O)C(=O)c1c[nH]c2cc(F)ccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H15FN2O4S/c1-18(10-4-5-23(21,22)8-10)15(20)14(19)12-7-17-13-6-9(16)2-3-11(12)13/h2-3,6-7,10,17H,4-5,8H2,1H3
InChIKeyXXGASVKXECAVON-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.14
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide

N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide (PubChem CID 113208590) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide
PubChem CID113208590
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide
SMILESCN(C(=O)C(=O)c1c[nH]c2cc(F)ccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H15FN2O4S/c1-18(10-4-5-23(21,22)8-10)15(20)14(19)12-7-17-13-6-9(16)2-3-11(12)13/h2-3,6-7,10,17H,4-5,8H2,1H3
InChIKeyXXGASVKXECAVON-UHFFFAOYSA-N
XLogP1.14
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 60516414
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide
CID 63110270
1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-5-fluorophenyl]ethanone
CID 43424232
3-(2,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108063
2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110355714
1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide
CID 113210953
N-(1,1-dioxothiolan-3-yl)-6-fluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203737
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 8740701
N-(3,4-difluorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108985725
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methylamino]-N-methylacetamide
CID 108997717
N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide
CID 109026637
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94180332

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide (CID 113208590) is N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide is CN(C(=O)C(=O)c1c[nH]c2cc(F)ccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
The InChIKey is XXGASVKXECAVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-18(10-4-5-23(21,22)8-10)15(20)14(19)12-7-17-13-6-9(16)2-3-11(12)13/h2-3,6-7,10,17H,4-5,8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide has a molecular weight of 338.36 g/mol, XLogP of 1.14, 3 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)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 113208590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).