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

C18H26N2O3S — CID 17123003

IUPACN-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccccc1C(=O)NC(=S)NC1CCCCC1
InChIInChI=1S/C18H26N2O3S/c1-2-22-12-13-23-16-11-7-6-10-15(16)17(21)20-18(24)19-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H2,19,20,21,24)
InChIKeyJTTWETFPZQOUNC-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.04
Rot. Bonds7

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

N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide (PubChem CID 17123003) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide
PubChem CID17123003
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccccc1C(=O)NC(=S)NC1CCCCC1
InChIInChI=1S/C18H26N2O3S/c1-2-22-12-13-23-16-11-7-6-10-15(16)17(21)20-18(24)19-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H2,19,20,21,24)
InChIKeyJTTWETFPZQOUNC-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'}

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Related Compounds

N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 28587947
N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide
CID 4948735
N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide
CID 17112920
N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119620824
N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 28587927
N-[(2-bromophenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123016
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123102
2-(2-ethoxyethoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26168152
2-chloro-N-cyclohexyl-5-[(2-propoxybenzoyl)carbamothioylamino]benzamide
CID 17188749
5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
CID 17357536
2-(2-ethoxyethoxy)-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17123104

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide (CID 17123003) is N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide is CCOCCOc1ccccc1C(=O)NC(=S)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide?
The InChIKey is JTTWETFPZQOUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-22-12-13-23-16-11-7-6-10-15(16)17(21)20-18(24)19-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H2,19,20,21,24).
What are the key properties of N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide?
N-(cyclohexylcarbamothioyl)-2-(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)-2-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17123003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).