N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide

C16H15FN2OS — CID 62387868

IUPACN-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2cccc(F)c2C(N)=S)c1
InChIInChI=1S/C16H15FN2OS/c1-10-4-2-5-11(8-10)9-14(20)19-13-7-3-6-12(17)15(13)16(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyZEURYYYJGCWRAO-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.95
Rot. Bonds4

About N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide

N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide (PubChem CID 62387868) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide
PubChem CID62387868
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC NameN-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2cccc(F)c2C(N)=S)c1
InChIInChI=1S/C16H15FN2OS/c1-10-4-2-5-11(8-10)9-14(20)19-13-7-3-6-12(17)15(13)16(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyZEURYYYJGCWRAO-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
CID 43580937
N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide
CID 112986781
N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602650
N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 107805598
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 6464374
N'-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945616
N-(2-amino-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43259058
N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
CID 63048603
1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015
3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740367
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
CID 82985432

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide (CID 62387868) is N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2cccc(F)c2C(N)=S)c1.
What is the InChIKey of N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide?
The InChIKey is ZEURYYYJGCWRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-10-4-2-5-11(8-10)9-14(20)19-13-7-3-6-12(17)15(13)16(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide?
N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 62387868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).