2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide

C18H17F2NOS — CID 26641401

IUPAC2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H17F2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h2-10,18H,1,11-12H2,(H,21,22)
InChIKeyRFLKFFHEJPQULP-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.09
Rot. Bonds7

About 2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide

2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide (PubChem CID 26641401) has the molecular formula C18H17F2NOS and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
PubChem CID26641401
Molecular FormulaC18H17F2NOS
Molecular Weight333.40 g/mol
Exact Mass333.10
IUPAC Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H17F2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h2-10,18H,1,11-12H2,(H,21,22)
InChIKeyRFLKFFHEJPQULP-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
2-[(4-fluorobenzyl)thio]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3324373
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623
N-(4-fluorobenzyl)-2-[(4-fluorobenzyl)thio]acetamide
CID 5045192
3-[(2-fluorobenzyl)thio]-N-(1-phenylethyl)propanamide
CID 5053724
3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 5055551
N-(3,3-Diphenylprop-2-en-1-yl)acetamide
CID 16094582
2-((Bis(4-fluorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76318212
1-[4-[2-[Bis(4-fluorophenyl)methylsulfanyl]ethylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142590728
N-Phenethyl-2-phenylsulfanyl-acetamide
CID 846686
N-[2-(benzylthio)ethyl]-3-phenylacrylamide
CID 2284565
N-[2-(tert-butylthio)ethyl]-3-(4-fluorophenyl)acrylamide
CID 2287752

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide (CID 26641401) is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide is C=CCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide?
The InChIKey is RFLKFFHEJPQULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h2-10,18H,1,11-12H2,(H,21,22).
What are the key properties of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide?
2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide has a molecular weight of 333.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 26641401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).