N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide

C16H24N2O2S — CID 17151100

IUPACN-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
SMILESCCCCCC(=O)NC(=S)Nc1ccccc1OC(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-5-6-11-15(19)18-16(21)17-13-9-7-8-10-14(13)20-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H2,17,18,19,21)
InChIKeyFSYPDSUGFZGGIS-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.87
Rot. Bonds7

About N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide

N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide (PubChem CID 17151100) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide.

Molecular Properties

Compound NameN-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
PubChem CID17151100
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
SMILESCCCCCC(=O)NC(=S)Nc1ccccc1OC(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-5-6-11-15(19)18-16(21)17-13-9-7-8-10-14(13)20-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H2,17,18,19,21)
InChIKeyFSYPDSUGFZGGIS-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.87
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-[(2-methoxyphenyl)carbamothioyl]pentanamide
CID 19187716
2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151053
N-[(2-propan-2-ylphenyl)carbamothioyl]heptanamide
CID 54789169
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646
N-[(2-butoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188363
N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108951934
2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151042
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 108990816
N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]octanamide
CID 43888109
N-pentyl-3-(2-propan-2-yloxyanilino)propanamide
CID 109032164
N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188354

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide?
The IUPAC name of N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide (CID 17151100) is N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide.
What is the SMILES notation for N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide?
The canonical SMILES for N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide is CCCCCC(=O)NC(=S)Nc1ccccc1OC(C)C.
What is the InChIKey of N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide?
The InChIKey is FSYPDSUGFZGGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-5-6-11-15(19)18-16(21)17-13-9-7-8-10-14(13)20-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H2,17,18,19,21).
What are the key properties of N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide?
N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide has a molecular weight of 308.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide is sourced from PubChem (CID 17151100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).