N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide

C21H32N2O2S — CID 17137889

IUPACN-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide
SMILESCCCCCC(=O)NC(=S)Nc1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C21H32N2O2S/c1-2-3-5-10-20(24)23-21(26)22-18-11-13-19(14-12-18)25-16-15-17-8-6-4-7-9-17/h11-14,17H,2-10,15-16H2,1H3,(H2,22,23,24,26)
InChIKeyWWNCHORLHKYJOT-UHFFFAOYSA-N
MW376.57 g/mol
LogP5.43
Rot. Bonds9

About N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide

N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide (PubChem CID 17137889) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide.

Molecular Properties

Compound NameN-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide
PubChem CID17137889
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC NameN-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide
SMILESCCCCCC(=O)NC(=S)Nc1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C21H32N2O2S/c1-2-3-5-10-20(24)23-21(26)22-18-11-13-19(14-12-18)25-16-15-17-8-6-4-7-9-17/h11-14,17H,2-10,15-16H2,1H3,(H2,22,23,24,26)
InChIKeyWWNCHORLHKYJOT-UHFFFAOYSA-N
XLogP5.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 55.43
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'}

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Related Compounds

N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]tetradecanamide
CID 54791321
N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide
CID 17340586
N-[(4-ethoxyphenyl)carbamothioyl]tetradecanamide
CID 54791972
3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide
CID 4952642
3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide
CID 4940830
N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide
CID 17137747
N-[4-(2-cyclohexylethoxy)phenyl]propanamide
CID 17137644
methyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178646
N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]hexanamide
CID 4958081
3-cyclohexyl-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]propanamide
CID 4934904
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]octanamide
CID 17130350
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide?
The IUPAC name of N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide (CID 17137889) is N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide.
What is the SMILES notation for N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide?
The canonical SMILES for N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide is CCCCCC(=O)NC(=S)Nc1ccc(OCCC2CCCCC2)cc1.
What is the InChIKey of N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide?
The InChIKey is WWNCHORLHKYJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-2-3-5-10-20(24)23-21(26)22-18-11-13-19(14-12-18)25-16-15-17-8-6-4-7-9-17/h11-14,17H,2-10,15-16H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide?
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide has a molecular weight of 376.57 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide is sourced from PubChem (CID 17137889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).