N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide

C14H16FN3O2S — CID 169359621

IUPACN-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide
SMILESCC(=O)NC1CCc2c(C)c(F)cc(NC(N)=S)c2C1=O
InChIInChI=1S/C14H16FN3O2S/c1-6-8-3-4-10(17-7(2)19)13(20)12(8)11(5-9(6)15)18-14(16)21/h5,10H,3-4H2,1-2H3,(H,17,19)(H3,16,18,21)
InChIKeyIWTMOKWWDJQDCL-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.42
Rot. Bonds2

About N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide

N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide (PubChem CID 169359621) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide
PubChem CID169359621
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide
SMILESCC(=O)NC1CCc2c(C)c(F)cc(NC(N)=S)c2C1=O
InChIInChI=1S/C14H16FN3O2S/c1-6-8-3-4-10(17-7(2)19)13(20)12(8)11(5-9(6)15)18-14(16)21/h5,10H,3-4H2,1-2H3,(H,17,19)(H3,16,18,21)
InChIKeyIWTMOKWWDJQDCL-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide?
The IUPAC name of N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide (CID 169359621) is N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide.
What is the SMILES notation for N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide?
The canonical SMILES for N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide is CC(=O)NC1CCc2c(C)c(F)cc(NC(N)=S)c2C1=O.
What is the InChIKey of N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide?
The InChIKey is IWTMOKWWDJQDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-6-8-3-4-10(17-7(2)19)13(20)12(8)11(5-9(6)15)18-14(16)21/h5,10H,3-4H2,1-2H3,(H,17,19)(H3,16,18,21).
What are the key properties of N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide?
N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide is sourced from PubChem (CID 169359621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).