N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide

C18H26N2O3S — CID 17112920

IUPACN-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-2-22-12-13-23-16-10-8-14(9-11-16)17(21)20-18(24)19-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H2,19,20,21,24)
InChIKeyYYXWZJWNLZBSBQ-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.04
Rot. Bonds7

About N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide

N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide (PubChem CID 17112920) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide
PubChem CID17112920
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-2-22-12-13-23-16-10-8-14(9-11-16)17(21)20-18(24)19-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H2,19,20,21,24)
InChIKeyYYXWZJWNLZBSBQ-UHFFFAOYSA-N
XLogP3.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide 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-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353863
2-chloro-N-cyclohexyl-5-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17188787
N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 4937464
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide
CID 17123003
N-cyclohexyl-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide
CID 43878562
4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide
CID 17112844
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17130720
methyl 4-(cyclopentylcarbamothioylcarbamoyl)benzoate
CID 17178596
N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide
CID 4948989

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide (CID 17112920) is N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide is CCOCCOc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide?
The InChIKey is YYXWZJWNLZBSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-22-12-13-23-16-10-8-14(9-11-16)17(21)20-18(24)19-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H2,19,20,21,24).
What are the key properties of N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide?
N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide has a molecular weight of 350.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17112920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).