N-(trifluoromethylsulfonyl)nonadec-18-enamide

C20H36F3NO3S — CID 154028090

IUPACN-(trifluoromethylsulfonyl)nonadec-18-enamide
SMILESC=CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C20H36F3NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(25)24-28(26,27)20(21,22)23/h2H,1,3-18H2,(H,24,25)
InChIKeyYYNQBOQKQSRLHF-UHFFFAOYSA-N
MW427.57 g/mol
LogP6.38
Rot. Bonds18

About N-(trifluoromethylsulfonyl)nonadec-18-enamide

N-(trifluoromethylsulfonyl)nonadec-18-enamide (PubChem CID 154028090) has the molecular formula C20H36F3NO3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)nonadec-18-enamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)nonadec-18-enamide
PubChem CID154028090
Molecular FormulaC20H36F3NO3S
Molecular Weight427.57 g/mol
Exact Mass427.24
IUPAC NameN-(trifluoromethylsulfonyl)nonadec-18-enamide
SMILESC=CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C20H36F3NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(25)24-28(26,27)20(21,22)23/h2H,1,3-18H2,(H,24,25)
InChIKeyYYNQBOQKQSRLHF-UHFFFAOYSA-N
XLogP6.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(trifluoromethylsulfonyl)nonadec-18-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide
CID 155170688
7-methyl-N-(trifluoromethylsulfonyl)octanamide
CID 146494618
12-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)dodecanamide
CID 153300305
2,2,2-trifluoroacetic acid;undec-10-enoic acid
CID 166789468
undeca-1,10-dien-3-one
CID 152625957
deca-1,9-dien-3-one
CID 21443589
tricosa-1,22-dien-12-one
CID 86210796
lithium dec-9-enoate
CID 23716774
3-(undec-10-enoylamino)propane-1-sulfonic acid
CID 101283812
nonadec-18-enamide
CID 166991988
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)nonadec-18-enamide?
The IUPAC name of N-(trifluoromethylsulfonyl)nonadec-18-enamide (CID 154028090) is N-(trifluoromethylsulfonyl)nonadec-18-enamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)nonadec-18-enamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)nonadec-18-enamide is C=CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(trifluoromethylsulfonyl)nonadec-18-enamide?
The InChIKey is YYNQBOQKQSRLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36F3NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(25)24-28(26,27)20(21,22)23/h2H,1,3-18H2,(H,24,25).
What are the key properties of N-(trifluoromethylsulfonyl)nonadec-18-enamide?
N-(trifluoromethylsulfonyl)nonadec-18-enamide has a molecular weight of 427.57 g/mol, XLogP of 6.38, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)nonadec-18-enamide is sourced from PubChem (CID 154028090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).