N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide

C23H24N2O2S — CID 17232208

IUPACN-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-3-6-15-27-21-13-10-18(11-14-21)22(26)25-23(28)24-20-12-9-17-7-4-5-8-19(17)16-20/h4-5,7-14,16H,2-3,6,15H2,1H3,(H2,24,25,26,28)
InChIKeyJNSTZDWXEBZHIK-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.54
Rot. Bonds7

About N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide

N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide (PubChem CID 17232208) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide
PubChem CID17232208
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-3-6-15-27-21-13-10-18(11-14-21)22(26)25-23(28)24-20-12-9-17-7-4-5-8-19(17)16-20/h4-5,7-14,16H,2-3,6,15H2,1H3,(H2,24,25,26,28)
InChIKeyJNSTZDWXEBZHIK-UHFFFAOYSA-N
XLogP5.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide 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-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
4-pentoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 4935590
N-[(4-anilinophenyl)carbamothioyl]-4-pentoxybenzamide
CID 4935589
4-heptoxy-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170023
4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4934158
N-[(4-iodophenyl)carbamothioyl]-4-pentoxybenzamide
CID 4935594
4-heptoxy-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067139
4-heptoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 17188635
4-[(4-butoxybenzoyl)carbamothioylamino]-N-methylbenzamide
CID 28642930
4-butoxy-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide
CID 3518185
4-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 4933896
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-heptoxybenzamide
CID 17130764

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide?
The IUPAC name of N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide (CID 17232208) is N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide.
What is the SMILES notation for N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide?
The canonical SMILES for N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide?
The InChIKey is JNSTZDWXEBZHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-3-6-15-27-21-13-10-18(11-14-21)22(26)25-23(28)24-20-12-9-17-7-4-5-8-19(17)16-20/h4-5,7-14,16H,2-3,6,15H2,1H3,(H2,24,25,26,28).
What are the key properties of N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide?
N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide has a molecular weight of 392.52 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide is sourced from PubChem (CID 17232208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).