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

C16H24N2O3S — CID 17340586

IUPACN-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide
SMILESCCCCCC(=O)NC(=S)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-4-5-6-15(19)18-16(22)17-13-7-9-14(10-8-13)21-12-11-20-2/h7-10H,3-6,11-12H2,1-2H3,(H2,17,18,19,22)
InChIKeyFPZJYVYBOGDMDC-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.11
Rot. Bonds9

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

N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide (PubChem CID 17340586) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide
PubChem CID17340586
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide
SMILESCCCCCC(=O)NC(=S)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-4-5-6-15(19)18-16(22)17-13-7-9-14(10-8-13)21-12-11-20-2/h7-10H,3-6,11-12H2,1-2H3,(H2,17,18,19,22)
InChIKeyFPZJYVYBOGDMDC-UHFFFAOYSA-N
XLogP3.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.11
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-ethoxyphenyl)carbamothioyl]tetradecanamide
CID 54791972
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]octanamide
CID 17130350
N-[[4-(2-methylprop-2-enoxy)phenyl]carbamothioyl]hexanamide
CID 17097817
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide
CID 17137889
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]tetradecanamide
CID 54791321
N-[(3-butoxyphenyl)carbamothioyl]octanamide
CID 17095226
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
N-[(4-heptoxyphenyl)carbamothioyl]-3-methylbutanamide
CID 4951640
N-[[4-(propanoylamino)phenyl]carbamothioyl]tetradecanamide
CID 54791172
N-(3-methoxypropyl)-4-(tetradecanoylcarbamothioylamino)benzamide
CID 54791193
N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-hexoxybenzamide
CID 17202757
N-[(3-heptoxyphenyl)carbamothioyl]tetradecanamide
CID 54791342

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide (CID 17340586) is N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide is CCCCCC(=O)NC(=S)Nc1ccc(OCCOC)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide?
The InChIKey is FPZJYVYBOGDMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-4-5-6-15(19)18-16(22)17-13-7-9-14(10-8-13)21-12-11-20-2/h7-10H,3-6,11-12H2,1-2H3,(H2,17,18,19,22).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide?
N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide has a molecular weight of 324.45 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide is sourced from PubChem (CID 17340586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).