N-(9H-fluoren-2-ylcarbamothioyl)acetamide

C16H14N2OS — CID 17099951

IUPACN-(9H-fluoren-2-ylcarbamothioyl)acetamide
SMILESCC(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H14N2OS/c1-10(19)17-16(20)18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H2,17,18,19,20)
InChIKeyNSTZUVJFNTVASA-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.09
Rot. Bonds1

About N-(9H-fluoren-2-ylcarbamothioyl)acetamide

N-(9H-fluoren-2-ylcarbamothioyl)acetamide (PubChem CID 17099951) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(9H-fluoren-2-ylcarbamothioyl)acetamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-ylcarbamothioyl)acetamide
PubChem CID17099951
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(9H-fluoren-2-ylcarbamothioyl)acetamide
SMILESCC(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H14N2OS/c1-10(19)17-16(20)18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H2,17,18,19,20)
InChIKeyNSTZUVJFNTVASA-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(9H-fluoren-2-ylcarbamothioyl)-2-methylbenzamide
CID 3555410
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
5-(4-chlorophenyl)-N-(9H-fluoren-2-ylcarbamothioyl)furan-2-carboxamide
CID 3831925
5-acetyl-N-(9H-fluoren-2-yl)thiophene-2-carboxamide
CID 39996046
(Z)-2-acetamido-N-(9H-fluoren-3-yl)-3-phenylprop-2-enamide
CID 9378259
1-(9H-fluoren-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75418599
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
CID 3033193
9H-fluorene;methyl acetate
CID 143080534
N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 24637018
methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate
CID 167795411
N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
CID 86987567

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-ylcarbamothioyl)acetamide?
The IUPAC name of N-(9H-fluoren-2-ylcarbamothioyl)acetamide (CID 17099951) is N-(9H-fluoren-2-ylcarbamothioyl)acetamide.
What is the SMILES notation for N-(9H-fluoren-2-ylcarbamothioyl)acetamide?
The canonical SMILES for N-(9H-fluoren-2-ylcarbamothioyl)acetamide is CC(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-(9H-fluoren-2-ylcarbamothioyl)acetamide?
The InChIKey is NSTZUVJFNTVASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10(19)17-16(20)18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(9H-fluoren-2-ylcarbamothioyl)acetamide?
N-(9H-fluoren-2-ylcarbamothioyl)acetamide has a molecular weight of 282.37 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-ylcarbamothioyl)acetamide is sourced from PubChem (CID 17099951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).