N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide

C26H41N3O3S — CID 54791918

IUPACN-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C26H41N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(30)28-26(33)27-23-16-14-13-15-22(23)25(31)29-18-20-32-21-19-29/h13-16H,2-12,17-21H2,1H3,(H2,27,28,30,33)
InChIKeyYSIMYKGCDWSDBX-UHFFFAOYSA-N
MW475.70 g/mol
LogP5.67
Rot. Bonds14

About N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide

N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide (PubChem CID 54791918) has the molecular formula C26H41N3O3S and a molecular weight of 475.70 g/mol. Its IUPAC name is N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide.

Molecular Properties

Compound NameN-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide
PubChem CID54791918
Molecular FormulaC26H41N3O3S
Molecular Weight475.70 g/mol
Exact Mass475.29
IUPAC NameN-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C26H41N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(30)28-26(33)27-23-16-14-13-15-22(23)25(31)29-18-20-32-21-19-29/h13-16H,2-12,17-21H2,1H3,(H2,27,28,30,33)
InChIKeyYSIMYKGCDWSDBX-UHFFFAOYSA-N
XLogP5.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.70
LogP ≤ 55.67
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-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]heptanamide
CID 54789366
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]heptanamide
CID 54789040
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
3-butoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 4957109
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
(E)-3-(4-methylphenyl)-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 6234122
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 4938956
ethyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate
CID 4938077
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide?
The IUPAC name of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide (CID 54791918) is N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide.
What is the SMILES notation for N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide?
The canonical SMILES for N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide?
The InChIKey is YSIMYKGCDWSDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(30)28-26(33)27-23-16-14-13-15-22(23)25(31)29-18-20-32-21-19-29/h13-16H,2-12,17-21H2,1H3,(H2,27,28,30,33).
What are the key properties of N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide?
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide has a molecular weight of 475.70 g/mol, XLogP of 5.67, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide is sourced from PubChem (CID 54791918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).