N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide

C20H23N3O3S — CID 4507619

IUPACN-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)C1CCCCC1
InChIInChI=1S/C20H23N3O3S/c24-18(13-26-17-11-10-14-6-4-5-9-16(14)12-17)22-23-20(27)21-19(25)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13H2,(H,22,24)(H2,21,23,25,27)
InChIKeyFZAUQBLTVKHRTN-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.82
Rot. Bonds4

About N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide

N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide (PubChem CID 4507619) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide
PubChem CID4507619
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)C1CCCCC1
InChIInChI=1S/C20H23N3O3S/c24-18(13-26-17-11-10-14-6-4-5-9-16(14)12-17)22-23-20(27)21-19(25)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13H2,(H,22,24)(H2,21,23,25,27)
InChIKeyFZAUQBLTVKHRTN-UHFFFAOYSA-N
XLogP2.82
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide 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-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 4513389
3-chloro-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide
CID 4940623
2-(2,4-dibromophenoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]acetamide
CID 4505568
1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea
CID 3490888
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980
propyl 4-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioylamino]-4-oxobutanoate
CID 4933687
4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide
CID 4937674
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
N-[4-(acetylcarbamothioylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 5229884

Frequently Asked Questions

What is the IUPAC name of N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide (CID 4507619) is N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide is O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)C1CCCCC1.
What is the InChIKey of N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide?
The InChIKey is FZAUQBLTVKHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-18(13-26-17-11-10-14-6-4-5-9-16(14)12-17)22-23-20(27)21-19(25)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13H2,(H,22,24)(H2,21,23,25,27).
What are the key properties of N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide?
N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 4507619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).